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EC number: 240-299-7 | CAS number: 16143-80-9
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
Description of key information
Acute oral toxicity:
Acute oral toxicity dose (LD50) of Sodium tris(1,2-naphthoquinone 1-oximato-O,O') ferrate(1-) (CAS no: 16143-80-9) was predicted based on OECD QSAR toolbox, the value was estimated to be 3197 mg/kg bw; different experimental study conducted by Gisbert Otterstatter (Coloring of Food, Drugs, and Cosmetics, 1999) and Commission of the European Communities (Directorate-General Environment, Consumer Protection and Nuclear Safety- Commission of the European Communities- Brussels Luxembourg, 1988), the LD50 was considered to be >10000 mg/kg bw; another experimental study by iSmithers Rapra Publishing (Toxicity and Safe Handling of Rubber Chemicals, 1999), LD50 was considered to be >5000 mg/kg bw; and different studies available on structurally similar read across substances barium bis{2-[(2-hydroxy-1-naphthyl) diazenyl]naphthalene-1-sulfonate} (CAS no: 1103-38-4), LD50 was considered to be >5000 mg/kg bw and Barium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate] (CAS no: 5160-02-1), LD50 was considered to be>10000 mg/kg bw. All these studies concluded that the LD50 value is >2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, Sodium tris(1,2-naphthoquinone 1-oximato-O,O') ferrate(1-) cannot be classified for acute oral toxicity.
Acute Inhalation toxicity:
Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (CAS no: 16143-80-9) has very low vapour pressure (7.478 E-12 mm Hg), so the potential for the generation of inhalable vapours is very low. Also the normal conditions of use of this substance will not result in aerosols, particles or droplets of an inhalable size, so exposure to humans via the inhalatory route will be highly unlikely and therefore this end point was considered for waiver.
Acute Dermal toxicity:
Acute Dermal toxicity dose (LD50) for Sodium tris(1,2-naphthoquinone 1-oximato-O,O') ferrate(1-) (CAS no: 16143-80-9) was predicted based on OECD QSAR toolbox, the value was estimated to be 5010 mg/kg bw and different study available for the closely related read across substance Phosphorous acid, triphenyl ester (CAS no.: 101-02-0), the LD50 was considered to be between the range of > 2000 - < 5000 mg/kg bw. Both these studies concluded that the LD50 value is >2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, Sodium tris(1,2-naphthoquinone 1-oximato-O,O') ferrate(1-) cannot be classified for acute dermal toxicity.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- Data is predicted using OECD QSAR toolbox version 3.3 and the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: as below
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Test type:
- fixed dose procedure
- Limit test:
- no
- Specific details on test material used for the study:
- - Name of test material : Sodium tris (1, 2-naphthoquinone 1-oximato-O, O’) ferrate (1- )
- Molecular formula : C30H18FeN3O6.Na
- Molecular weight : 595.3222 g/mol
- Smiles notation : [Na+].[Fe+2].[O-]\N=C\1/C(=O)C=Cc2ccccc12.[O-]\N=C\3/C(=O)C=Cc4ccccc34.[O-]\N=C\5/C(=O)C=Cc6ccccc56
- InChl : HWLCXJRHGUPXJZ-ZHJLFMMCSA-K
- Substance type: Organic
- Physical state: Solid - Species:
- rat
- Strain:
- Wistar
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- No data available
- Route of administration:
- oral: gavage
- Vehicle:
- other: olive oil
- Details on oral exposure:
- No data available
- Doses:
- 3197 mg/kg
- No. of animals per sex per dose:
- 10
- Control animals:
- not specified
- Details on study design:
- No data available
- Statistics:
- No data available
- Preliminary study:
- No data available
- Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 3 197 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: 50 % mortality observed
- Mortality:
- No data available
- Clinical signs:
- other: No data available
- Gross pathology:
- No data available
- Other findings:
- No data available
- Interpretation of results:
- other: Not classified
- Conclusions:
- The LD50 was estimated to be 3197 mg/kg bw, when 10 male and female Wistar rats were treated with Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) via oral gavage route.
- Executive summary:
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (CAS no: 16143-80-9). The LD50 was estimated to be 3197 mg/kg bw, when 10 male and female Wistar rats were treated with Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) via oral gavage route.
Reference
The
prediction was based on dataset comprised from the following
descriptors: LD50
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((("a"
or "b" )
and ("c"
and (
not "d")
)
)
and ("e"
and (
not "f")
)
)
and "g" )
and ("h"
and "i" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Michael Addition OR Michael
Addition >> Quinoide type compounds OR Michael Addition >> Quinoide type
compounds >> Quinone methide(s)/imines; Quinoide oxime structure;
Nitroquinones, Naphthoquinone(s)/imines by Protein binding by OASIS v1.3
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Michael addition OR Michael
addition >> Polarised Alkenes OR Michael addition >> Polarised Alkenes
>> Polarised alkene - ketones OR Michael addition >> Quinones and
Quinone-type Chemicals OR Michael addition >> Quinones and Quinone-type
Chemicals >> Quinone-imine by Protein binding by OECD
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition, quinoid structures OR AN2 >> Michael-type addition, quinoid
structures >> Quinoneimines OR AN2 >> Nucleophilic addition to alpha,
beta-unsaturated carbonyl compounds OR AN2 >> Nucleophilic addition to
alpha, beta-unsaturated carbonyl compounds >> alpha, beta-Unsaturated
Aldehydes OR AN2 >> Schiff base formation OR AN2 >> Schiff base
formation >> alpha, beta-Unsaturated Aldehydes OR AN2 >> Shiff base
formation after aldehyde release OR AN2 >> Shiff base formation after
aldehyde release >> Specific Acetate Esters OR Michael addition OR
Michael addition >> Quinone type compounds OR Michael addition >>
Quinone type compounds >> Quinone methides OR Non-covalent interaction
OR Non-covalent interaction >> DNA intercalation OR Non-covalent
interaction >> DNA intercalation >> Coumarins OR Radical OR Radical >>
Generation of ROS by glutathione depletion (indirect) OR Radical >>
Generation of ROS by glutathione depletion (indirect) >> Haloalkanes
Containing Heteroatom OR Radical >> Radical mechanism via ROS formation
(indirect) OR Radical >> Radical mechanism via ROS formation (indirect)
>> Conjugated Nitro Compounds OR Radical >> Radical mechanism via ROS
formation (indirect) >> Coumarins OR Radical >> ROS formation after GSH
depletion OR Radical >> ROS formation after GSH depletion (indirect) OR
Radical >> ROS formation after GSH depletion (indirect) >> Quinoneimines
OR Radical >> ROS formation after GSH depletion >> Quinone methides OR
SN1 OR SN1 >> Carbenium ion formation OR SN1 >> Carbenium ion formation
>> Alpha-Haloethers OR SN1 >> Nucleophilic attack after carbenium ion
formation OR SN1 >> Nucleophilic attack after carbenium ion formation >>
Specific Acetate Esters OR SN1 >> Nucleophilic attack after reduction
and nitrenium ion formation OR SN1 >> Nucleophilic attack after
reduction and nitrenium ion formation >> Conjugated Nitro Compounds OR
SN1 >> Nucleophilic attack after reduction and nitrenium ion formation
>> Nitrobiphenyls and Bridged Nitrobiphenyls OR SN2 OR SN2 >> Acylation
OR SN2 >> Acylation >> Specific Acetate Esters OR SN2 >> Alkylation,
direct acting epoxides and related OR SN2 >> Alkylation, direct acting
epoxides and related >> Epoxides and Aziridines OR SN2 >> Direct acting
epoxides formed after metabolic activation OR SN2 >> Direct acting
epoxides formed after metabolic activation >> Coumarins OR SN2 >> DNA
alkylation OR SN2 >> DNA alkylation >> Alkylphosphates,
Alkylthiophosphates and Alkylphosphonates OR SN2 >> Nucleophilic
substitution at sp3 Carbon atom OR SN2 >> Nucleophilic substitution at
sp3 Carbon atom >> Haloalkanes Containing Heteroatom OR SN2 >>
Nucleophilic substitution at sp3 Carbon atom >> Specific Acetate Esters
OR SN2 >> SN2 at sp3-carbon atom OR SN2 >> SN2 at sp3-carbon atom >>
Alpha-Haloethers by DNA binding by OASIS v.1.3
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >>
Isocyanates and Isothiocyanates OR Acylation >> Isocyanates and
Isothiocyanates >> Isocyanates OR Michael addition OR Michael addition
>> P450 Mediated Activation to Quinones and Quinone-type Chemicals OR
Michael addition >> P450 Mediated Activation to Quinones and
Quinone-type Chemicals >> Arenes OR Michael addition >> Polarised
Alkenes-Michael addition OR Michael addition >> Polarised
Alkenes-Michael addition >> Alpha, beta- unsaturated amides OR Michael
addition >> Polarised Alkenes-Michael addition >> Alpha, beta-
unsaturated esters OR Michael addition >> Polarised Alkenes-Michael
addition >> Alpha, beta- unsaturated ketones OR Michael addition >>
Polarised Azo Compounds OR Michael addition >> Polarised Azo Compounds
>> Azocarbonamides OR SN1 OR SN1 >> Iminium Ion Formation OR SN1 >>
Iminium Ion Formation >> Aliphatic tertiary amines OR SN1 >> Nitrenium
Ion formation OR SN1 >> Nitrenium Ion formation >> Aromatic nitro OR SN1
>> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine
OR SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine by DNA
binding by OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Not bioavailable by Lipinski
Rule Oasis ONLY
Domain
logical expression index: "h"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 3.21
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 7.68
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 3 197 mg/kg bw
- Quality of whole database:
- Data is Klimisch 2 and from QSAR toolbox 3.3.
Acute toxicity: via inhalation route
Link to relevant study records
- Endpoint:
- acute toxicity: inhalation
- Data waiving:
- other justification
- Justification for data waiving:
- other:
Reference
Endpoint conclusion
- Quality of whole database:
- Waiver
Acute toxicity: via dermal route
Link to relevant study records
- Endpoint:
- acute toxicity: dermal
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- Data is predicted by OECD QSAR Toolbox version 3.3. The supporting QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- The data is predicted using the OECD QSAR toolbox version 3.3 with log Kow as the primary descriptor.
- GLP compliance:
- not specified
- Test type:
- other: not specified
- Limit test:
- no
- Specific details on test material used for the study:
- - Name of test material : Sodium tris (1, 2-naphthoquinone 1-oximato-O, O’) ferrate (1- )
- Molecular formula : C30H18FeN3O6.Na
- Molecular weight : 595.3222 g/mol
- Smiles notation : [Na+].[Fe+2].[O-]\N=C\1/C(=O)C=Cc2ccccc12.[O-]\N=C\3/C(=O)C=Cc4ccccc34.[O-]\N=C\5/C(=O)C=Cc6ccccc56
- InChl : HWLCXJRHGUPXJZ-ZHJLFMMCSA-K
- Substance type: Organic
- Physical state: Solid - Species:
- rabbit
- Strain:
- New Zealand White
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- not specified
- Type of coverage:
- semiocclusive
- Vehicle:
- unchanged (no vehicle)
- Details on dermal exposure:
- not specified
- Duration of exposure:
- 24 hours
- Doses:
- 5010 mg/kg bw
- No. of animals per sex per dose:
- 3
- Control animals:
- not specified
- Details on study design:
- not specified
- Statistics:
- not specified
- Preliminary study:
- not specified
- Key result
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- 5 010 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: 50% mortality was observed
- Mortality:
- not specified
- Clinical signs:
- other: not specified
- Gross pathology:
- not specified
- Other findings:
- not specified
- Interpretation of results:
- other: Not classified
- Conclusions:
- The LD50 was estimated to be 5010 mg/kg bw, when 3 male and female New Zealand White rabbits were treated with Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) for 24 hours by dermal application semiocclusively.
- Executive summary:
In a prediction done by SSS (2018) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute dermal toxicity was estimated for Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (CAS no: 16143-80-9). The LD50 was estimated to be 5010 mg/kg bw, when 3 male and female New Zealand White rabbits were treated with Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) for 24 hours by dermal application semiocclusively.
Reference
The
prediction was based on dataset comprised from the following
descriptors: LD50
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and "i" )
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and ("n"
and "o" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anion OR Aromatic compound OR
Cation by Organic functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aromatic Carbon [C] OR Carbonyl,
olefinic attach [-C(=O)-] OR Carbonyloxime derivative [C(=O)C=NO-] OR
Iron [Fe] OR Ketone in a ring, olefinic aromatic attach OR Miscellaneous
sulfide (=S) or oxide (=O) OR Olefinic carbon [=CH- or =C<] OR Oxygen,
nitrogen attach [-O-] by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Diketone OR Fused carbocyclic
aromatic OR Ketoxime derivatives OR Overlapping groups OR Quinoid
compounds by Organic Functional groups (nested) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aryl OR Cycloketone OR Diketone
OR Fused carbocyclic aromatic OR Ketoxime derivatives OR Quinoid
compounds by Organic Functional groups ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Nucleophilic
addition to alpha, beta-unsaturated carbonyl compounds OR AN2 >>
Nucleophilic addition to alpha, beta-unsaturated carbonyl compounds >>
alpha, beta-Unsaturated Aldehydes OR AN2 >> Schiff base formation OR AN2
>> Schiff base formation >> alpha, beta-Unsaturated Aldehydes OR Michael
addition OR Michael addition >> Quinone type compounds OR Michael
addition >> Quinone type compounds >> Quinone methides OR Radical OR
Radical >> ROS formation after GSH depletion OR Radical >> ROS formation
after GSH depletion >> Quinone methides OR SN1 OR SN1 >> Alkylation
after metabolically formed carbenium ion species OR SN1 >> Alkylation
after metabolically formed carbenium ion species >> Polycyclic Aromatic
Hydrocarbon Derivatives OR SN2 OR SN2 >> Alkylation, direct acting
epoxides and related OR SN2 >> Alkylation, direct acting epoxides and
related >> Epoxides and Aziridines OR SN2 >> Alkylation, direct acting
epoxides and related after P450-mediated metabolic activation OR SN2 >>
Alkylation, direct acting epoxides and related after P450-mediated
metabolic activation >> Polycyclic Aromatic Hydrocarbon Derivatives by
DNA binding by OASIS v.1.3
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Michael addition OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals OR Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Arenes by DNA binding by OECD
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Not bioavailable by Lipinski
Rule Oasis ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Non-Metals AND Transition Metals
by Groups of elements
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Alkaline Earth OR Metalloids by
Groups of elements
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 15
- Nitrogen N AND Group 16 - Oxygen O AND Group 8 - Trans.Metals Fe,Ru,Os
by Chemical elements
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Group 16 - Sulfur S by Chemical
elements
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 5.26
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 10.9
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 5 010 mg/kg bw
- Quality of whole database:
- Data is Klimisch 2 and from QSAR toolbox 3.3.
Additional information
Acute oral toxicity:
In different studies, Sodium tris(1,2-naphthoquinone 1-oximato-O,O') ferrate(1-) (CAS no: 16143-80-9) has been investigated for acute oral toxicity to a greater or lesser extent. Often are the studies based on in-vivo experiments in rodents, i.e. most commonly in rats for Sodium tris(1,2-naphthoquinone 1-oximato-O,O') ferrate(1-) along with the study available on structurally similar read across substances barium bis{2-[(2-hydroxy-1-naphthyl) diazenyl]naphthalene-1-sulfonate} (CAS no: 1103-38-4) and Barium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate] (CAS no: 5160-02-1). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (CAS no: 16143-80-9). The LD50 was estimated to be 3197 mg/kg bw, when 10 male and female Wistar rats were treated with Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) via oral gavage route.
The experimental study conducted by Gisbert Otterstatter (Coloring of Food, Drugs, and Cosmetics,1999) and Commission of the European Communities (Directorate-General Environment, Consumer Protection and Nuclear Safety- Commission of the European Communities- Brussels Luxembourg, 1988), for the target chemical Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (CAS no: 16143-80-9).Acute oral toxicity study was conducted in rats at the concentration of 10000 mg/kg bw. No mortality was observed in treated rats. Therefore, LD50 was considered to be >10000 mg/kg bw, when rats were treated withSodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) via oral route.
The above study is supported by iSmithers Rapra Publishing (Toxicity and Safe Handling of Rubber Chemicals,1999), for the target chemical Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (CAS no: 16143-80-9). Acute oral toxicity study was conducted in rats at the concentration of 5000 mg/kg bw. No mortality was observed in treated rats. Therefore, LD50 was considered to be >5000 mg/kg bw, when rats were treated withSodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) via oral route.
The above experimental and prediction studies are supported by U.S. National Library of Medicine (HSDB (Hazardous Substances Data Bank), US national Library of Medicine,
2017) and Jay A. Brown (Haz-Map®: Information on Hazardous Chemicals and Occupational Diseases, U.S. National Library of Medicine, October 2017), for the structurally similar read across substance barium bis{2-[(2-hydroxy-1-naphthyl) diazenyl]naphthalene-1-sulfonate} (CAS no: 1103-38-4).Acute oral toxicity study was conducted in rats at the concentration of 5000 mg/kg bw. No mortality was observed in treated rats. Therefore, LD50 was considered to be >5000 mg/kg bw, when rats were treated with barium bis{2-[(2-hydroxy-1-naphthyl) diazenyl]naphthalene-1-sulfonate} via oral route.
All these studies are further supported by United Nations Environmental Programme (UNEP, 1999), for the structurally similar read across substance Barium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate] (CAS no: 5160-02-1).Acute oral toxicity study was conducted in rats at the concentration of 10000 mg/kg bw. No mortality was observed in treated rats. Therefore, LD50 was considered to be >10000 mg/kg bw, when rats were treated withBarium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate] via oral route.
Thus, based on the above studies on Sodium tris(1,2-naphthoquinone 1-oximato-O,O') ferrate(1-) (CAS no: 16143-80-9) and it’s read across substances, it can be concluded that LD50 value is >2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, Sodium tris(1,2-naphthoquinone 1-oximato-O,O') ferrate(1-) cannot be classified for acute oral toxicity.
Acute Inhalation toxicity:
Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (CAS no: 16143-80-9) has very low vapour pressure (7.478 E-12 mm Hg), so the potential for the generation of inhalable vapours is very low. Also the normal conditions of use of this substance will not result in aerosols, particles or droplets of an inhalable size, so exposure to humans via the inhalatory route will be highly unlikely and therefore this end point was considered for waiver.
Acute Dermal toxicity:
In different studies, Sodium tris(1,2-naphthoquinone 1-oximato-O,O') ferrate(1-) (CAS no: 16143-80-9) has been investigated for acute dermal toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments in rodents, i.e. most commonly in rabbits for Sodium tris(1,2-naphthoquinone 1-oximato-O,O') ferrate(1-) along with the study available on the closely related read across substance Phosphorous acid, triphenyl ester (CAS no.: 101-02-0). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –
In a prediction done by SSS (2018) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute dermal toxicity was estimated for Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (CAS no: 16143-80-9). The LD50 was estimated to be 5010 mg/kg bw, when 3 male and female New Zealand White rabbits were treated with Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) for 24 hours by dermal application semiocclusively.
This study is supported by U.S Environmental Protection agency, High Production Volume Information System (HPVIS, 2018), for the closely related read across substance Phosphorous acid, triphenyl ester (CAS no.: 101-02-0). Acute dermal toxicity was determined in New Zealand white rabbits as per the methods described in Section 1500.40 of the U.S. Federal Hazardous Substances Act Regulations, 16 CFF, pg. 123. [Comparable to OECD Test Guideline 402]. The sample was applied as supplied to the back of each animal at dose of 5.0 g/kg body weight. These treated areas were covered with large gauze patches and an impervious material was wrapped around the trunk of each animal. The dressings were removed after 24 hours and any excess material was removed. The animals were observed for a 21-day period for signs of toxicity and mortality. At a dose of 5 g/kg, all three males and females died. After 5-6 hours, the animals appeared cold, and lethargic. They became semi-comatose after 8 hours and deaths occurred over approximately 2-3 days after dosing. At 2 g/kg, no animals died and there were no remarkable findings, except for substantial skin irritation lasting over several days. Gross pathological examination revealed no remarkable findings. Thus, acute dermal LD50 value of the substance Phosphorous acid, triphenyl ester was determined to be in between the range of > 2000 - < 5000 mg/kg for New Zealand white rabbits.
Thus, based on the above studies on Sodium tris(1,2-naphthoquinone 1-oximato-O,O') ferrate(1-) (CAS no: 16143-80-9) and it’s read across substances, it can be concluded that LD50 value is >2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, Sodium tris(1,2-naphthoquinone 1-oximato-O,O') ferrate(1-) cannot be classified for acute dermal toxicity.
Justification for classification or non-classification
Based on the above studies and prediction on Sodium tris(1,2-naphthoquinone 1-oximato-O,O') ferrate(1-) (CAS no: 16143-80-9) and it’s read across substances, it can be concluded that LD50 value is >2000 mg/kg bw for acute oral and dermal toxicity. Thus, comparing this value with the criteria of CLP regulation, Sodium tris(1,2-naphthoquinone 1-oximato-O,O') ferrate(1-) cannot be classified for acute oral and dermal toxicity.For Acute Inhalation toxicity wavier was added so, not possible to classify.
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