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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
eye irritation: in vivo
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

Data source

Reference
Reference Type:
other: Predicted data
Title:
[R]: 16,7; Estimation for MMAS for CAS 119-70-0
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:
other: Estimated data
Principles of method if other than guideline:
The prediction is done by using QSAR Toolbox Version 3.1
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
5-amino-2-(p-aminoanilino)benzenesulphonic acid
EC Number:
204-344-4
EC Name:
5-amino-2-(p-aminoanilino)benzenesulphonic acid
Cas Number:
119-70-0
Molecular formula:
C12H13N3O3S
IUPAC Name:
5-amino-2-[(4-aminophenyl)amino]benzene-1-sulfonic acid
Details on test material:
SMILES:c1(Nc2ccc(N)cc2)c(S(=O)(=O)O)cc(N)cc1

Test animals / tissue source

Species:
rabbit
Strain:
not specified

Test system

Vehicle:
not specified
Duration of treatment / exposure:
1 day
Number of animals or in vitro replicates:
6

Results and discussion

In vivo

Results
Irritation parameter:
other: The modified maximum average score
Basis:
mean
Score:
16.7
Reversibility:
not specified
Remarks on result:
other: MMAS score indicates chemical to be non-irritating to the eyes

Any other information on results incl. tables






The prediction was based on dataset comprised from the following descriptors: MMAS
Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

("a" and ("b" and "c" )  )

Domain logical expression index: "a"

Similarity boundary:Target: c1(Nc2ccc(N)cc2)c(S(=O)(=O)O)cc(N)cc1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Parametric boundary:The target chemical should have a value of Molecular weight which is >= 212 Da

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of Molecular weight which is <= 288 Da

Applicant's summary and conclusion

Interpretation of results:
not irritating
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
The modified maximum average score (MMAS) for 5-amino-2-(p-aminoanilino)benzenesulphonic acid is estimated to 16.7. Based on this value it can be concluded that 5-amino-2-(p-aminoanilino)benzenesulphonic acid is non -irritating to rabbit eyes as per the criteria of CLP regulation.
Executive summary:

The modified maximum average score (MMAS) for 5-amino-2-(p-aminoanilino)benzenesulphonic acid is estimated to 16.7. Based on this value it can be concluded that 5-amino-2-(p-aminoanilino)benzenesulphonic acid is non -irritating to rabbit eyes as per the criteria of CLP regulation.