Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-)

Endpoint summary

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

Reference

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

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

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.

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

Reference

Endpoint:

acute toxicity: inhalation

Data waiving:

other justification

Justification for data waiving:

other:

Endpoint conclusion

Quality of whole database:

Waiver

Acute toxicity: via dermal route

Link to relevant study records

Reference

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

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

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.

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.