Disodium 4,4'-bis(2-hydroxynaphthalen-1-ylazo)biphenyl-2,6'-disulphonate

Toxicity to aquatic algae and cyanobacteria

Administrative data

Endpoint:

toxicity to aquatic algae and cyanobacteria

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Study period:

2020

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

The prediction has been carried out by means of QSAR predictions, using the following models:
 “CORAL Algae acute (EC50) classification model for dyes”. The relative QMRF and QRPF are available as attached files:
“6.1.5 - EC 233-439-3 - Acid Red 97 - QMRF Algae Dyes classification.pdf”;
“6.1.5 - EC 233-439-3 - Acid Red 97 - QPRF Algae Dyes classification.pdf”.
 “CORAL Algae acute (EC50) regression model for dyes”. The relative QMRF and QRPF are available as attached files:
“6.1.5 - EC 233-439-3 - Acid Red 97 - QMRF Algae Dyes regression.pdf”;
“6.1.5 - EC 233-439-3 - Acid Red 97 - QPRF Algae Dyes regression.pdf”.

Data source

Reference

Reference Type:

other company data

Title:

Unnamed

Year:

2020

Materials and methods

Principles of method if other than guideline:

In-silico prediction (QSAR) has been used to cover the present endpoint. The aim of this prediction is to contribute through a weight of evidence approach to the assessment of the acute algal growth inhibition (ErC50; 72h) in order to satisfy the REACH requirements for the registration dossier using non-testing methods.
Two QSAR models have been applied (classification and regression models).

Test material

Test material information

Constituent 1

Reference substance name:

Disodium 4,4'-bis(2-hydroxynaphthalen-1-ylazo)biphenyl-2,6'-disulphonate

EC Number:

233-439-3

EC Name:

Disodium 4,4'-bis(2-hydroxynaphthalen-1-ylazo)biphenyl-2,6'-disulphonate

Cas Number:

10169-02-5

Molecular formula:

C32H20N4Na2O8S2

IUPAC Name:

NA

Specific details on test material used for the study:

CAS number 10169-02-5
EC number 233-439-3
Chemical name Acid Red 97
Structuralformula C32 H20 N4 Na2 O8 S2
SMILES
[Na+].[Na+].[O-]S(=O)(=O)C1=CC(=CC=C1C1=CC=C(C=C1S([O-])(=O)=O)N=NC1C2=CC=CC=C2C=CC=1O)N=NC1C2=CC=CC=C2C=CC=1O

Results and discussion

Effect concentrations

Remarks on result:

not measured/tested

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

Both applied models predict the test material as acutely toxic to aquatic algae growth (ErC50= 33.00 mg/L; 72h; moderate toxicity).
The test material fulfils the model's applicability domain, satisfying the defined reliability criteria. Thus, the prediction can be considered adequate for data-gap filling for the present endpoint.