Sodium 4-aminonaphthalene-1-sulphonate

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

Test material information

Constituent 1

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.