5-amino-2-(p-aminoanilino)benzenesulphonic acid

Toxicity to aquatic algae and cyanobacteria

Administrative data

Endpoint:

toxicity to aquatic algae and cyanobacteria

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]: 8.33 mg/L; Estimation for NOEC 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

Test material information

Constituent 1

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 organisms

Test organisms (species):

Raphidocelis subcapitata (previous names: Pseudokirchneriella subcapitata, Selenastrum capricornutum)

Study design

Test type:

flow-through

Water media type:

freshwater

Total exposure duration:

72 h

Test conditions

pH:

≈8.1

Results and discussion

Effect concentrations

Duration:

72 h

Dose descriptor:

NOEC

Effect conc.:

8.33 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

other: Growth

Any other information on results incl. tables

The prediction was based on dataset comprised from the following descriptors: NOEC
Estimation method: Takes average value from the 4 nearest neighbours
Domain  logical expression:Result: In Domain

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

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"

Referential boundary: The target chemical should be classified as Not possible to classify according to these rules (GSH) by Protein binding potency

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Moderately reactive (GSH) OR Moderately reactive (GSH) >> 2-Chloroacetamides (SN2) by Protein binding potency

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 High (Class III) by Toxic hazard classification by Cramer (with extensions)

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Class 5 (Not possible to classify according to these rules) by Acute aquatic toxicity classification by Verhaar

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Very fast by Bioaccumulation - metabolism half-lives

Domain logical expression index: "h"

Parametric boundary:The target chemical should have a value of log Kow which is >= -3.02

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0

Applicant's summary and conclusion

Conclusions:

The no observed effect concentration (NOEC) value of 5-amino-2-(p-aminoanilino)benzenesulphonic acid in aquatic algae (Pseudokirchneriella subcapitata) in a 72 hr study on the basis of growth inhibation rate effect was estimated to be 8.329 mg/L.

Executive summary:

The no observed effect concentration (NOEC) value of 5-amino-2-(p-aminoanilino)benzenesulphonic acid in aquatic algae (Pseudokirchneriella subcapitata) in a 72 hr study on the basis of growth inhibation rate effect was estimated to be 8.329 mg/L.