Benzidine-2,2'-disulphonic acid

Endpoint summary

Description of key information

From the available data, it can be concluded that the chemical benzidine-2,2'-disulphonic acid is unlikely to exhibit acute toxicity by the oral, inhalation and dermal route

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:

key study

Reliability:

2 (reliable with restrictions)

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Qualifier:

according to guideline

Guideline:

OECD Guideline 423 (Acute Oral toxicity - Acute Toxic Class Method)

GLP compliance:

no

Test type:

standard acute method

Species:

rat

Strain:

Sprague-Dawley

Sex:

not specified

Route of administration:

oral: gavage

Vehicle:

not specified

Doses:

no data

No. of animals per sex per dose:

no data

Control animals:

not specified

Sex:

not specified

Dose descriptor:

LD50

Effect level:

3 400 mg/kg bw

Based on:

test mat.

Remarks on result:

other: sex details not given

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" and ("b" and ( not "c") )  )  and "d" )  and "e" )  and "f" )  and ("g" and "h" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Anilines (Acute toxicity) by US-EPA New Chemical Categories

Domain logical expression index: "b"

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

Domain logical expression index: "c"

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 >> Activated halo-benzenes by Protein binding by OECD

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as High (Class III) by Toxic hazard classification by Cramer (original)

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Bioavailable by Lipinski Rule Oasis

Domain logical expression index: "f"

Similarity boundary:Target: c1(-c2c(S(=O)(=O)O)cc(N)cc2)c(S(=O)(=O)O)cc(N)cc1
Threshold=50%,
Dice(Atom centered fragments)

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is >= -4

Domain logical expression index: "h"

Parametric boundary:The target chemical should have a value of log Kow which is <= -1.41

Interpretation of results:

not classified

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

The LD50 value as predicted by the QSAR model was found to be 3400 mg/Kg bw of Rat by the oral route. This value suggests that benzidine-2,2'-disulphonic acid shall not exhibit acute toxicity by the oral route within this concentration range

Executive summary:

The LD50 value as predicted by the QSAR model was found to be 3400 mg/Kg bw of Rat by the oral route. This value suggests that benzidine-2,2'-disulphonic acidshall not exhibit acute toxicity by the oral route within this concentration range

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

3 400 mg/kg bw

Quality of whole database:

Since the model is considered relaible by OECD the predictions are expected to be reliable and have been used in the absence of experimental results

Acute toxicity: via inhalation route

Link to relevant study records

Reference

Endpoint:

acute toxicity: inhalation

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

other:

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Acute toxicity: via dermal route

Link to relevant study records

Reference

Endpoint:

acute toxicity: dermal

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Qualifier:

according to guideline

Guideline:

other:

Principles of method if other than guideline:

A method of Draize et al. (1944) was followed. Neat material was held in contact with clipped skin for 24h (occlusive) by a rubber sleeve. Prior to exposure the subjects are prepared by clipping the skin of the trunk free of hair. The sleeve is slipped onto the animal which is then placed in a comfortable but immobilized position in a multiple animal holder. The doses of liquids and solutions are calculated on tile basis of body weight and introduced under the sleeve.

GLP compliance:

no

Test type:

other: study of 1944 as per the then existing guidelines

Limit test:

yes

Species:

rabbit

Strain:

not specified

Sex:

not specified

Type of coverage:

occlusive

Vehicle:

unchanged (no vehicle)

Duration of exposure:

14 days

Doses:

- 3.9, 6.0 and 9.4 ml/kg bw in a preliminary range finding
no further details on single doses given

No. of animals per sex per dose:

no data

Control animals:

not specified

Details on study design:

Duration of observation period following administration: 14 days
- Frequency of observations and weighing: daily
- Necropsy of survivors performed: no
- Other examinations performed: clinical signs, body weight,organ weights, histopathology, other: blood morphology

Sex:

not specified

Dose descriptor:

LD50

Effect level:

> 12 000 mg/kg bw

Remarks on result:

other: calculated from original data 10 ml/kg (density 1.194 g/ml)

Interpretation of results:

practically nontoxic

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

An experimental LD50 value of > 12000 mg/kg bw in rabbit was obtained for the read-across chemical (CAS No 131-11-3). In the absence of test data for the target chemical (CAS No 117-61-3) it is assumed that given the 60% structural similarity of the analogue to the target, benzidine-2,2'-disulphonic acid is assumed to not exhibit acute toxicity by the dermal route

Executive summary:

An experimental LD50 value of > 12000 mg/kg bw in rabbit was obtained for the read-across chemical (CAS No 131-11-3). In the absence of test data for the target chemical (CAS No 117-61-3) it is assumed that given the 60% structural similarity of the analogue to the target, benzidine-2,2'-disulphonic acid is assumed to not exhibit acute toxicity by the dermal route

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

12 000 mg/kg bw

Quality of whole database:

reliable with restriction

Additional information

From the available data, it can be concluded that the chemical benzidine-2,2'-disulphonic acid is unlikely to exhibit acute toxicity by the oral, inhalation and dermal route

Justification for selection of acute toxicity – oral endpoint

QSAR model considered relaible by OECD

Justification for selection of acute toxicity – inhalation endpoint

In accordance with column 2 of Annex VIII, testing by the inhalation route is appropriate only if exposure of humans via inhalation is likely taking into

account the vapour pressure of the substance. Since the vapour pressure of this chemical is very low  (0.000000000000000431 Pa), there is least likelihood of exposure via the inhalation route. Therefore, this end point was considered for waiver.

Justification for selection of acute toxicity – dermal endpoint

An experimental LD50 value of > 12000 mg/kg bw in rabbit was obtained for the read-across chemical (CAS No 131-11-3). In the absence of test data for the target chemical (CAS No 117-61-3) it is assumed that given the 60% structural similarity of the analogue to the target, benzidine-2,2'-disulphonic acid is assumed to not exhibit acute toxicity by the dermal route

Justification for classification or non-classification

The chemical benzidine-2,2'-disulphonic acid is unlikely to exhibit acute toxicity by the oral, inhalation and dermal route