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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
Repeated dose toxicity: oral
The No Observed Adverse Effect Level (NOAEL) for Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) in rats is estimated to be 1092.0 mg/Kg bw/day after repeated exposure via oral route.
Repeated dose toxicity: inhalation
According to Annex IX of the REACH regulation, testing by the inhalation route is appropriate only if exposure of humans via inhalation is likely. Taking into account the low vapour pressure of the substance Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-), which is reported as 1.6132E-24 Pa. Thus, exposure to inhalable dust, mist and vapour of the chemical Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) is highly unlikely. Therefore this study is considered for waiver.
Repeated dose toxicity: dermal
The acute toxicity value for Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (as provided in section 7.2.3) is >2000 mg/kg body weight. Also, given the use of the chemical; repeated exposure by the dermal route is unlikely since the use of gloves is common practice in industries. Thus, it is expected that Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) shall not exhibit 28 day repeated dose toxicity by the dermal route. In addition, there is no data available that suggests that Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) shall exhibit repeated dose toxicity by the dermal route. Hence this end point was considered for waiver.
Key value for chemical safety assessment
Repeated dose toxicity: via oral route - systemic effects
Link to relevant study records
- Endpoint:
- repeated dose 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 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
- 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:
- not specified
- Sex:
- not specified
- Route of administration:
- oral: unspecified
- Vehicle:
- not specified
- Analytical verification of doses or concentrations:
- not specified
- Duration of treatment / exposure:
- not specified
- Frequency of treatment:
- not specified
- No. of animals per sex per dose:
- not specified
- Control animals:
- not specified
- Details on study design:
- not specified
- Positive control:
- not specified
- Clinical signs:
- not specified
- Mortality:
- not specified
- Body weight and weight changes:
- not specified
- Food consumption and compound intake (if feeding study):
- not specified
- Food efficiency:
- not specified
- Water consumption and compound intake (if drinking water study):
- not specified
- Ophthalmological findings:
- not specified
- Haematological findings:
- not specified
- Clinical biochemistry findings:
- not specified
- Urinalysis findings:
- not specified
- Behaviour (functional findings):
- not specified
- Immunological findings:
- not specified
- Organ weight findings including organ / body weight ratios:
- not specified
- Gross pathological findings:
- not specified
- Neuropathological findings:
- not specified
- Histopathological findings: neoplastic:
- not specified
- Other effects:
- not specified
- Key result
- Dose descriptor:
- NOAEL
- Effect level:
- 1 092 mg/kg bw/day (actual dose received)
- Based on:
- test mat.
- Sex:
- not specified
- Basis for effect level:
- other: no significant changes estimated at mentioned dose level
- Remarks on result:
- other: No toxic effect were observed
- Critical effects observed:
- not specified
- Treatment related:
- not specified
- Dose response relationship:
- not specified
- Relevant for humans:
- not specified
- Conclusions:
- The No Observed Adverse Effect Level (NOAEL) for Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) in rats is estimated to be 1092.0 mg/Kg bw/day after repeated exposure via oral route.
- Executive summary:
Repeated dose oral toxicity was evaluated for Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) using SSS QSAR prediction database.
The study assumed the use of rats in a subacute study. Since no significant changes were noted, the No Observed Adverse Effect Level (NOAEL) for Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) in rats is estimated to be 1092.0 mg/Kg bw/day after repeated exposure via oral route. Based on this the test substance is estimated to be not toxic after Repeated exposure via oral route as per CLP classification criteria.
Reference
The
prediction was based on dataset comprised from the following
descriptors: NOAEL
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 (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and "o" )
and "p" )
and "q" )
and "r" )
and "s" )
and "t" )
and "u" )
and "v" )
and ("w"
and (
not "x")
)
)
and ("y"
and (
not "z")
)
)
and ("aa"
and (
not "ab")
)
)
and ("ac"
and "ad" )
)
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 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 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 Non binder, MW>500 by Estrogen
Receptor Binding
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Non binder, MW>500 by Estrogen
Receptor Binding
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Aliphatic nitriles
(Hepatotoxicity) Rank B OR Oximes (Hemolytic anemia with
methemoglobinemia) Rank B by Repeated dose (HESS)
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Aryl AND Cycloketone AND
Diketone AND Fused carbocyclic aromatic AND Ketoxime derivatives AND
Quinoid compounds by Organic Functional groups ONLY
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Diketone AND Fused carbocyclic
aromatic AND Ketoxime derivatives AND Overlapping groups AND Quinoid
compounds by Organic Functional groups (nested) ONLY
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Aromatic Carbon [C] AND
Carbonyl, olefinic attach [-C(=O)-] AND Carbonyloxime derivative
[C(=O)C=NO-] AND Iron [Fe] AND Ketone in a ring, olefinic aromatic
attach AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon
[=CH- or =C<] AND Oxygen, nitrogen attach [-O-] by Organic functional
groups (US EPA) ONLY
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Aromatic Carbon [C] AND
Carbonyl, olefinic attach [-C(=O)-] AND Carbonyloxime derivative
[C(=O)C=NO-] AND Iron [Fe] AND Ketone in a ring, olefinic aromatic
attach AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon
[=CH- or =C<] AND Oxygen, nitrogen attach [-O-] by Organic functional
groups (US EPA) ONLY
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Aromatic Carbon [C] AND
Carbonyl, olefinic attach [-C(=O)-] AND Carbonyloxime derivative
[C(=O)C=NO-] AND Iron [Fe] AND Ketone in a ring, olefinic aromatic
attach AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon
[=CH- or =C<] AND Oxygen, nitrogen attach [-O-] by Organic functional
groups (US EPA) ONLY
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Aromatic Carbon [C] AND
Carbonyl, olefinic attach [-C(=O)-] AND Carbonyloxime derivative
[C(=O)C=NO-] AND Iron [Fe] AND Ketone in a ring, olefinic aromatic
attach AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon
[=CH- or =C<] AND Oxygen, nitrogen attach [-O-] by Organic functional
groups (US EPA) ONLY
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Aromatic Carbon [C] AND
Carbonyl, olefinic attach [-C(=O)-] AND Carbonyloxime derivative
[C(=O)C=NO-] AND Iron [Fe] AND Ketone in a ring, olefinic aromatic
attach AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon
[=CH- or =C<] AND Oxygen, nitrogen attach [-O-] by Organic functional
groups (US EPA) ONLY
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Aromatic Carbon [C] AND
Carbonyl, olefinic attach [-C(=O)-] AND Carbonyloxime derivative
[C(=O)C=NO-] AND Iron [Fe] AND Ketone in a ring, olefinic aromatic
attach AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon
[=CH- or =C<] AND Oxygen, nitrogen attach [-O-] by Organic functional
groups (US EPA) ONLY
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Not categorized by US-EPA New
Chemical Categories
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Lanthanides or Rare Earth Metals
by US-EPA New Chemical Categories
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Canada DSL AND ECHA PR AND
EINECS AND NICNAS AND TSCA by Inventory Affiliation
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as (N/A) by Inventory Affiliation
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as (N/A) by Database Affiliation
Domain
logical expression index: "ab"
Referential
boundary: The
target chemical should be classified as Bioconcentration NITE by
Database Affiliation
Domain
logical expression index: "ac"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.522
Domain
logical expression index: "ad"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 8.7
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- NOAEL
- 1 092 mg/kg bw/day
- Study duration:
- subacute
- Species:
- rat
- Quality of whole database:
- Data is of K2 reliability and is predicted from OECD QSAR toolbox.
Repeated dose toxicity: inhalation - systemic effects
Link to relevant study records
- Endpoint:
- short-term repeated dose toxicity: inhalation
- Data waiving:
- other justification
- Justification for data waiving:
- other:
Reference
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: inhalation - local effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: dermal - systemic effects
Link to relevant study records
- Endpoint:
- short-term repeated dose toxicity: dermal
- Data waiving:
- other justification
- Justification for data waiving:
- other:
Reference
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: dermal - local effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Repeated dose toxicity: oral
The predicted data for target Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (CAS 16143 -80 -9) and its structurally read across substance Acid green 1 (CAS 19381 -50 -1) were reviewed to determine the toxic nature of the test compound upon repeated application and is summarised below as weight of evidence approach:
Repeated dose oral toxicity was evaluated forSodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-)using SSS QSAR prediction database.
The study assumed the use of rats in a subacute study. Since no significant changes were noted, the No Observed Adverse Effect Level (NOAEL) for Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) in rats is estimated to be 1092.0 mg/Kg bw/day after repeated exposure via oral route. Based on this the test substance is estimated to be not toxic after Repeated exposure via oral route as per CLP classification criteria.
The above result was supported by the read across data obtained from the Report of the Scientific Committee on Cosmetology (seventh series) by Commission of the European Communities, in which the substance Ferric Complex of trisodium tris[5,6-dihydro-5-(hydroxyimino)-6-oxonaphthalene-2-sulphonato(2-)-N5,O6]ferrate(3 -) (CAS No. 19381-50-1) was tested for its potential toxic effects after repeated exposure via oral route of administration. The test animal considered for the study was rats. The test substance was exposed via gavage route at concentration of 1000 or 2000 mg/kg bw/day at frequency of 5 days/week for 13 weeks. Treatment of rats with the test chemical did not induce any deleterious effects. Hence, the No Observed Adverse Effect Level (NOAEL) for trisodium tris[5,6-dihydro-5-(hydroxyimino)-6-oxonaphthalene-2-sulphonato(2-)-N5,O6]ferrate(3-) in rats is considered to be 2000 mg/kg bw/day after repeated exposure via oral route.
Based on the above data and by applying weight of evidence approach, it can be concluded that the chemical Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (CAS 19381 -50 -1) is not likely to cause repeated dose toxicity by the oral route of exposure. Thus, the chemical is not likely to be considered for classification under Repeated dose toxicity as per CLP classification criteria.
Repeated dose toxicity: inhalation
According to Annex IX of the REACH regulation, testing by the inhalation route is appropriate only if exposure of humans via inhalation is likely. Taking into account the low vapour pressure of the substance Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-), which is reported as1.6132E-24 Pa. Thus, exposure to inhalable dust, mist and vapour of the chemical Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-)is highly unlikely. Therefore this study is considered for waiver.
Repeated dose toxicity: dermal
The
acute toxicity value for Sodium
tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-)(as
provided in section 7.2.3) is >2000 mg/kg body weight. Also, given the
use of the chemical; repeated exposure by the dermal route is unlikely
since the use of gloves is common practice in industries. Thus, it is
expected thatSodium
tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-)shall
not exhibit 28 day repeated dose toxicity by the dermal route. In
addition, there is no data available that suggests that
Sodium tris(1,2-naphthoquinone
1-oximato-O,O')ferrate(1-) shall
exhibit repeated dose toxicity by the dermal route. Hence this end point
was considered for waiver.
Justification for classification or non-classification
Based on the above data and the applicable waivers, it can be concluded that the chemical Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (CAS 16143 -80 -9)
is not likely to cause repeated dose toxicity by the oral, inhalation and dermal route of exposure. Thus, the chemical is not likely to be considered for classification under Repeated dose toxicity as per CLP classification criteria.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.