Disodium 4-hydroxynaphthalene-2,7-disulphonate

Endpoint summary

Description of key information

Acute Oral Toxicity:

The LD50 was estimated to be 2396.14 mg/kg bw,when female Wistar rats were orally exposed with Disodium 4-hydroxynaphthalene-2,7-disulphonate (20349-39-7) via gavage.

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 3.4 and QMRF report has been attached

Qualifier:

according to guideline

Guideline:

other: As mentioned below

Principles of method if other than guideline:

Prediction was done by using OECD QSAR toolbox v3.4,2017

GLP compliance:

not specified

Test type:

other: Estimated data

Limit test:

no

Specific details on test material used for the study:

- Name of test material (IUPAC name): Disodium 4-hydroxynaphthalene-2,7-disulphonate
- Common name: 2,7-Naphthalenedisulfonic acid, 4-hydroxy-, sodium salt (1:2)
- Molecular formula: C10H6Na2O7S2
- Molecular weight: 348.2624 g/mol
- Smiles notation: c1cc2c(cc1S(=O)(=O)[O-])cc(cc2O)S(=O)(=O)[O-].[Na+].[Na+]
- InChl: 1S/C10H8O7S2.2Na/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
- Substance type: Organic

Species:

rat

Strain:

Wistar

Sex:

female

Details on test animals or test system and environmental conditions:

No data available

Route of administration:

oral: gavage

Vehicle:

unchanged (no vehicle)

Details on oral exposure:

No data available

Doses:

2396.14 mg/kg bw

No. of animals per sex per dose:

No data available

Control animals:

not specified

Details on study design:

No data available

Statistics:

No data available

Preliminary study:

No data available

Sex:

female

Dose descriptor:

LD50

Effect level:

2 396.14 mg/kg bw

Based on:

test mat.

Remarks on result:

other: 50% Mortality was 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" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Strong binder, OH group by Estrogen Receptor Binding

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Acid moiety AND Phenols AND Salt by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as No alert found by DNA binding by OECD

Domain logical expression index: "d"

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 >> Alkyl phenols OR Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes OR Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones OR Michael addition >> Polarised Alkenes-Michael addition OR Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters OR Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones OR Schiff base formers OR Schiff base formers >> Chemicals Activated by P450 to Glyoxal  OR Schiff base formers >> Chemicals Activated by P450 to Glyoxal  >> Ethanolamines (including morpholine) 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 azo OR SN1 >> Nitrenium Ion formation >> Aromatic nitro OR SN1 >> Nitrenium Ion formation >> Primary aromatic amine OR SN1 >> Nitrenium Ion formation >> Secondary aromatic amine OR SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine by DNA binding by OECD

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OECD

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Direct Acylation Involving a Leaving group OR Acylation >> Direct Acylation Involving a Leaving group >> Acetates OR SNAr OR SNAr >> Nucleophilic aromatic substitution OR SNAr >> Nucleophilic aromatic substitution >> Halo-pyrimidines OR SNAr >> Nucleophilic aromatic substitution >> Halo-triazines by Protein binding by OECD

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is >= -4.13

Domain logical expression index: "h"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.775

Interpretation of results:

Category 5 based on GHS criteria

Conclusions:

The LD50 was estimated to be 2396.14 mg/kg bw,when female Wistar rats were orally exposed with Disodium 4-hydroxynaphthalene-2,7-disulphonate (20349-39-7) via gavage.

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 Disodium 4-hydroxynaphthalene-2,7-disulphonate(20349-39-7).The LD50 was estimated to be 2396.14 mg/kg bw,when female Wistar rats were orally exposed with Disodium 4-hydroxynaphthalene-2,7-disulphonate(20349-39-7) via gavage.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

2 396.14 mg/kg bw

Quality of whole database:

Data is Klimicsh 2 and from QSAR Toolbox 3.3. (2017)

Acute toxicity: via inhalation route

Endpoint conclusion

Endpoint conclusion:

no study available

Acute toxicity: via dermal route

Endpoint conclusion

Endpoint conclusion:

no study available

Additional information

Acute Oral Toxicity:

In different studies, Disodium 4-hydroxynaphthalene-2,7-disulphonate (20349-39-7) has been investigated for acute oral toxicity to a greater or lesser extent. Often the studies are based on in vivo experiments and estimated data in rodents, i.e. most commonly in rats for Disodium 4-hydroxynaphthalene-2,7-disulphonate (20349-39-7). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies.

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 Disodium 4-hydroxynaphthalene-2,7-disulphonate(20349-39-7).The LD50 was estimated to be 2396.14 mg/kg bw,when female Wistar rats were orally exposed with Disodium 4-hydroxynaphthalene-2,7-disulphonate(20349-39-7) via gavage.

In another experimental study conducted by Sustainability Support Services (Europe) AB, Sweden (OECD GLP Laboratory, Report no.:14_49_002, Sustainability Support Services (Europe) AB, Sweden, Company study no.8013-90-9/SSS/2018, 2014-02-22) for the structurally similar read across substance Disodium 8-acetamido-1-hydroxy-2-phenylazo-naphtalene-3,6-disulphonate (3734-67-6). The acute oral toxicity profile of Disodium 5-acetylamino-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonatein 12 female Sprague Dawley rats.The test material dissloved in distilled water and given by oral gavage route.Initially, three female animals were treated at the dose level of 300 mg/kg body weight of the test item (Step - I). Administration of the test item at 300 mg/kg did not result in any signs of toxicity and mortality at 24 hours after the dosing. As no mortality was observed at 24 hours after the dosing, three female animals were added to the study and treated with the same dose of 300 mg/kg of the test item (Step - II). Administration of the test item at 300 mg/kg did not result in any signs of toxicity and mortality after the dosing.No mortality was observed at 300 mg/kg dose group, hence additional three female animals were treated with the higher dose of 2000 mg/kg of the test item (Step - I). Administration of the test item at 2000 mg/kg did not result in any signs of toxicity and mortality after the dosing. As no mortality were observed at 24 hours after the dosing, hence additional three female animals were treated with the higher dose of 2000 mg/kg of the test item (Step - II). Administration of the test item at 2000 mg/kg did not result in any signs of toxicity and mortality after the dosing.Gross pathological examination did not reveal any abnormalities in animals from 300 mg/kg and 2000 mg/kg dose groups.No moratlity was observed at dose concentration 2000mg/kg bw. HenceThe LD50 value  was considered  to be >2000 mg/kg body weight. When Sprague Dawley rats were treated with Disodium 5-acetylamino-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonate orally.

In another experimental study conducted by I. F. GAUNT and S. D. GANGOLLI (Fd Cosmet. ToxicoL Vol. 5, pp. 747-754,1967) and U.S. National Library of Medicine (Chemidplus Database,U.S. National Library of Medicine,2017) for the structurally similar read across substance Disodium 6-hydroxy-5-[(4-sulphonatophenyl)azo]naphthalene-2-sulphonate (2783-94-0). Acute oral toxicity study was done in 5 male and 5 female ICI Alderley Park strain mice using test material Disodium 6-hydroxy-5-[(4 sulphonatophenyl)azo]naphthalene-2-sulphonate(2783-94-0) which was 85% pure.The animals were fasted for 18 hr before treatment and observed for 7 days after treatment.No Mortality was observed at dose 6000 mg/kg bw. Slight diarrhoea lasted for 24 hr after dosing.The faeces and urine were coloured orange. Autopsies were carried out on those animals which died and on selected survivors. No macroscopic changes were seen after treatment.Hence,LD50 value was considered to be >6000 mg/kg bw,when mice were treated with Disodium 6-hydroxy-5-[(4 sulphonatophenyl)azo]naphthalene-2-sulphonate(2783-94-0)orally.

Also these results are further supported by the experimental study conducted by IFA GESTIS(GESTIS SUBSTANCE Database (information system in hazardous substance of the Berufsgenossenscheftn),2017) for the structurally similar read across substance 6-Amino-4-hydroxy-2-naphthalenesulfonic Acid (90-51-7). Acute oral toxicity study was done in 10 rat using 6-Amino-4-hydroxy-2-naphthalenesulfonic Acid (90-51-7). No mortality was observed in 14 days at dose 5000 mg/kg bw . Hence, LD50was considered to be >5000mg/kgbody weight. When rats were treated with6-Amino-4-hydroxy-2-naphthalenesulfonic Acid (90-51-7)orally.

Thus, based on the above studies and predictions on Disodium 4-hydroxynaphthalene-2,7-disulphonate (20349-39-7) and its read across substances, it can be concluded that LD50 value was 2396.14 mg/kg bw. Thus, comparing this value with the criteria of CLPregulation,Disodium 4-hydroxynaphthalene-2,7-disulphonate (20349-39-7) can be “Not classified” for Acute Oral Toxicity.

Justification for classification or non-classification

Thus, comparing this value with the criteria of CLP regulation,Disodium 4-hydroxynaphthalene-2,7-disulphonate (20349-39-7) can be “Not classified” for Acute Oral Toxicity.