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Ecotoxicological information

Short-term toxicity to aquatic invertebrates

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 3.1. [R]: Estimation for LC50 for CAS 130-13-2
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:
Sodium 4-aminonaphthalene-1-sulphonate
EC Number:
204-975-5
EC Name:
Sodium 4-aminonaphthalene-1-sulphonate
Cas Number:
130-13-2
Molecular formula:
C10H9NO3S.Na
IUPAC Name:
sodium 4-aminonaphthalene-1-sulfonate
Details on test material:
-Substance Name : sodium 4-aminonaphthalene-1-sulphonate
-Molecular Formula : C10H9NO3S.Na
-SMILES:c1(S(=O)(=O)O{-}.[Na]{+})c2c(c(N)cc1)cccc2

Test organisms

Test organisms (species):
Daphnia magna

Study design

Test type:
static
Water media type:
freshwater
Total exposure duration:
48 h
Remarks on exposure duration:
Duration : 2 days

Results and discussion

Effect concentrations
Duration:
48 h
Dose descriptor:
LC50
Effect conc.:
2 790.621 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
mortality

Any other information on results incl. tables






The prediction was based on dataset comprised from the following descriptors: LC50
Estimation method: Takes 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" )  )

Domain logical expression index: "a"

Similarity boundary:Target: c1(S(=O)(=O)O{-}.[Na]{+})c2c(c(N)cc1)cccc2
Threshold=55%,
Dice(Atom pairs)

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OECD

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Direct Acylation Involving a Leaving group OR Acylation >> Direct Acylation Involving a Leaving group >> Acetates OR Acylation >> Isocyanates and Related Chemicals OR Acylation >> Isocyanates and Related Chemicals >> Thiocyanates-Acylation OR Michael addition OR Michael addition >> Polarised Alkenes OR Michael addition >> Polarised Alkenes >> Polarised alkene - esters OR Michael addition >> Polarised Alkenes >> Polarised alkene - ketones OR SN2 OR SN2 >> SN2 reaction at a sulphur atom OR SN2 >> SN2 reaction at a sulphur atom >> Thiocyanates-SN2 by Protein binding by OECD

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"

Parametric boundary:The target chemical should have a value of log Kow which is >= -3.43

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of log Kow which is <= -1.6

Applicant's summary and conclusion

Conclusions:
The lethal concentration (LC50) value of sodium 4-aminonaphthalene-1-sulphonate in aquatic invertebrate (Daphnia magna) in a 48 hr study on the basis of mortality effect was found to be 2790 mg/L. This indicates that the chemical shall not exhibit acute toxicity to aquatic invertebates in low concentration.
Executive summary:

The lethal concentration (LC50) value of sodium 4-aminonaphthalene-1-sulphonate in aquatic invertebrate (Daphnia magna) in a 48 hr study on the basis of mortality effect was found to be 2790 mg/L. This indicates that the chemical shall not exhibit acute toxicity to aquatic invertebates in low concentration.

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