Registration Dossier

Ecotoxicological information

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:
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

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES:c1(Nc2ccc(N)cc2)c(S(=O)(=O)O)cc(N)cc1

Test organisms

Test organisms (species):
Pseudokirchneriella subcapitata (previous names: Raphidocelis 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.