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Ecotoxicological information

Short-term toxicity to aquatic invertebrates

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Administrative data

Endpoint:
short-term toxicity to aquatic invertebrates
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: QSAR Toolbox 2.3.0.1132 prediction for EC50 read across evaluation for 96-67-3
Author:
Sustainability Support Services ( Europe) AB
Year:
2013
Bibliographic source:
QSAR Toolbox Version 2.3

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: estimated data
Principles of method if other than guideline:
The data is taken from QSAR Toolbox Version 2.3
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:




Substance Name : 3-amino-2-hydroxy-5-nitrobenzenesulphonic acid
Molecular Formula : C6H6N2O6S
Substance type: organic

SMILES:c1(S(=O)(=O)O)c(O)c(N)cc(N(=O)=O)c1

Sampling and analysis

Analytical monitoring:
not specified

Test organisms

Test organisms (species):
Daphnia magna

Study design

Test type:
flow-through
Water media type:
freshwater
Total exposure duration:
48 h

Results and discussion

Effect concentrations
Duration:
48 h
Dose descriptor:
EC50
Effect conc.:
130.935 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
other: Immobilisation

Any other information on results incl. tables






The prediction was based on dataset comprised from the following descriptors: EC50
Estimation method: Taking 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" ) )

Domain logical expression index: "a"

Similarity boundary:Target: c1(S(=O)(=O)O)c(O)c(N)cc(N(=O)=O)c1
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 OASIS

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Activated haloarenes OR MA: Nucleophilic aromatic substitution on activated halogens OR Mechanistic Domain: SNAr by Protein binding by OASIS

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Reactive unspecified by Acute aquatic toxicity MOA by OASIS

Domain logical expression index: "e"

Similarity boundary:Target: c1(S(=O)(=O)O)c(O)c(N)cc(N(=O)=O)c1
Threshold=80%,
Dice(Atom pairs)

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of log Kow which is >= -3.81

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.63

Applicant's summary and conclusion

Conclusions:
The effective concentration (EC50) value of 3-amino-2-hydroxy-5-nitrobenzenesulphonic acid in aquatic invertebrate (Daphnia Magna) in a 48 hr study based on Immobilisation effect was estimated to be 130.9352 mg/L.
Executive summary:

The effective concentration (EC50) value of 3-amino-2-hydroxy-5-nitrobenzenesulphonic acid in aquatic invertebrate (Daphnia Magna) in a 48 hr study based on Immobilisation effect was estimated to be 130.9352 mg/L. Thus considering the value from CLP Criteria for aquatic classification of the substance , it is concluded that 3-amino-2-hydroxy-5-nitrobenzenesulphonic acid do not exhibit short term toxicity to aquatic invertebrate (Daphnia Magna)