3-amino-2-hydroxy-5-nitrobenzenesulphonic 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: QSAR Toolbox 2.3.0.1132 prediction for NOEC 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

Guideline:

other: Estimated data

Principles of method if other than guideline:

The data is taken from QSAR Tooolbox Version 2.3

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

3-amino-2-hydroxy-5-nitrobenzenesulphonic acid

EC Number:

202-523-1

EC Name:

3-amino-2-hydroxy-5-nitrobenzenesulphonic acid

Cas Number:

96-67-3

Molecular formula:

C6H6N2O6S

IUPAC Name:

3-amino-2-hydroxy-5-nitrobenzenesulphonic acid

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):

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

Study design

Test type:

flow-through

Water media type:

freshwater

Total exposure duration:

72 h

Results and discussion

Effect concentrations

Duration:

72 h

Dose descriptor:

NOEC

Effect conc.:

8.136 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: 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 Class 5 (Not possible to classify according to these rules) by Acute aquatic toxicity classification by Verhaar

Domain logical expression index: "e"

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

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 <= -0.615

Applicant's summary and conclusion

Conclusions:

The No Observed Effect Concentration (NOEC) of 3-amino-2-hydroxy-5-nitrobenzenesulphonic acid in Aquatic algae (Pseudokirchnerella subcapitata) in 72 hrs study was estimated to be 8.136299 mg/l.

Executive summary:

The No Observed Effect Concentration (NOEC) of 3-amino-2-hydroxy-5-nitrobenzenesulphonic acid in Aquatic algae (Pseudokirchnerella subcapitata) in 72 hrs study was estimated to be 8.136299 mg/l. Thus considering the CLP Criteria for aquatic classification of the substance , it is concluded that 3-amino-2-hydroxy-5-nitrobenzenesulphonic acid could not exhibit short term toxicity to green algae (Pseudokirchnerella subcapitata).