Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Toxicological information

Repeated dose toxicity: oral

Currently viewing:

Administrative data

Endpoint:
short-term repeated dose toxicity: oral
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: Predicted data
Title:
R: QSAR Toolbox 3.1: 794 mg/kg bw/day (nominal); Estimation for NOAEL for CAS 117-61-3
Author:
Sustainability Support Services (Europe) AB
Year:
2013
Bibliographic source:
QSAR Toolbox version 3.1

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
EU Method B.7 (Repeated Dose (28 Days) Toxicity (Oral))
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Benzidine-2,2'-disulphonic acid
EC Number:
204-200-0
EC Name:
Benzidine-2,2'-disulphonic acid
Cas Number:
117-61-3
Molecular formula:
C12H12N2O6S2
IUPAC Name:
4,4'-diamino-[1,1'-biphenyl]-2,2'-disulfonic acid
Details on test material:
SMILES:c1(-c2c(S(=O)(=O)O)cc(N)cc2)c(S(=O)(=O)O)cc(N)cc1

Test animals

Species:
rat
Strain:
Sprague-Dawley
Sex:
male/female

Administration / exposure

Route of administration:
oral: gavage
Vehicle:
not specified
Duration of treatment / exposure:
28 days
Frequency of treatment:
no data
Doses / concentrations
Remarks:
Doses / Concentrations:
175 mg/kg/day
Basis:
no data
No. of animals per sex per dose:
unspecified

Results and discussion

Effect levels

Dose descriptor:
NOAEL
Effect level:
793.75 mg/kg bw/day (nominal)
Based on:
test mat.
Sex:
male/female
Basis for effect level:
other: not specified
Remarks on result:
other: not specified

Target system / organ toxicity

Critical effects observed:
not specified
System:
other: not specified
Organ:
not specified

Any other information on results incl. tables

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

Domain logical expression index: "a"

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

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 Acylation >> Ring Opening Acylation OR Acylation >> Ring Opening Acylation >> alpha-Lactams OR Michael addition OR Michael addition >> Acid imides OR Michael addition >> Acid imides >> Acid imides-MA OR Michael addition >> Polarised Alkenes OR Michael addition >> Polarised Alkenes >> Polarised alkene - esters OR Michael addition >> Polarised Alkenes >> Polarised alkene - ketones OR SN2 OR SN2 >> SN2 reaction at sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon atom >> Alkyl diazo OR SN2 >> SN2 reaction at sp3 carbon atom >> Allyl acetates and related chemicals 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 (with extensions)

Domain logical expression index: "e"

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

Domain logical expression index: "f"

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 16 - Sulfur S by Chemical elements

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Group 1 - Alkali Earth Li,Na,K,Rb,Cs,Fr OR Group 10 - Trans.Metals Ni,Pd,Pt OR Group 14 - Metals Sn,Pb OR Group 15 - Phosphorus P OR Group 8 - Trans.Metals Fe,Ru,Os by Chemical elements

Domain logical expression index: "h"

Parametric boundary:The target chemical should have a value of log Kow which is >= -3.82

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.0753

Applicant's summary and conclusion

Conclusions:
The Subacute repeated dose toxicity; predicted by the QSAR model for rat over a 28 day period gave a no observed adverse effect level ( NOAEL) of 793.75 mg/kg bw . Thus, benzidine-2,2'-disulphonic acid is not expected to exhibit repeated dose toxicity within the concentration mentioned in the study.
Executive summary:

The Subacute repeated dose toxicity; predicted by the QSAR model for rat over a 28 day period gave a no observed adverse effect level ( NOAEL) of 793.75 mg/kg bw . Thus, benzidine-2,2'-disulphonic acid is not expected to exhibit repeated dose toxicity within the concentration mentioned in the study.