Sodium hydrogen 8-aminonaphthalene-1,6-disulphonate

Short-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

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 limited documentation / justification

Justification for type of information:

Data is from OECD QSAR toolbox version 3.4 and the QMRAF report has been attached.

Qualifier:

according to guideline

Guideline:

other: Estimated data

Version / remarks:

No data available

Deviations:

not specified

Principles of method if other than guideline:

Prediction was done using the OECD QSAR toolbox version 3.4.

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material: sodium hydrogen 8-aminonaphthalene-1,6-disulfonate
- Molecular formula: C10H8NNaO6S2
- Molecular weight: 325.2962 g/mol
- Smiles notation: c1cc2cc(cc(c2c(c1)S(=O)(=O)O)N)S(=O)(=O)[O-].[Na+]
- InChl: 1S/C10H9NO6S2.Na/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-1
- Substance type: Organic
- Physical state: Solid

Analytical monitoring:

not specified

Details on sampling:

No data available

Vehicle:

not specified

Details on test solutions:

No data available

Test organisms (species):

Daphnia magna

Details on test organisms:

No data available

Test type:

static

Water media type:

freshwater

Limit test:

no

Total exposure duration:

48 h

Remarks on exposure duration:

No data available

Post exposure observation period:

No data available

Hardness:

No data available

Test temperature:

20±1°C

pH:

6.9-7.4

Dissolved oxygen:

No data available

Salinity:

No data available

Conductivity:

No data available

Nominal and measured concentrations:

No data available

Details on test conditions:

No data available

Reference substance (positive control):

not specified

Key result

Duration:

48 h

Dose descriptor:

EC50

Effect conc.:

194.354 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

other: Intoxication

Remarks on result:

other: Non toxic

Details on results:

No data available

Results with reference substance (positive control):

No data available

Reported statistics and error estimates:

No data available

The prediction was based on dataset comprised from the following descriptors: EC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

((((((((("a" or "b" or "c" or "d" or "e" or "f" )  and "g" )  and "h" )  and ("i" and ( not "j") )  )  and ("k" and ( not "l") )  )  and ("m" and ( not "n") )  )  and ("o" and ( not "p") )  )  and ("q" and ( not "r") )  )  and ("s" and "t" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Naphthalene sulfonic acids, condensates by OECD HPV Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Anilines (Acute toxicity) by US-EPA New Chemical Categories

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Non-covalent interaction AND Non-covalent interaction >> DNA intercalation AND Non-covalent interaction >> DNA intercalation >> Fused-Ring Primary Aromatic Amines AND Radical AND Radical >> Radical mechanism via ROS formation (indirect) AND Radical >> Radical mechanism via ROS formation (indirect) >> Fused-Ring Primary Aromatic Amines AND SN1 AND SN1 >> Nucleophilic attack after metabolic nitrenium ion formation AND SN1 >> Nucleophilic attack after metabolic nitrenium ion formation >> Fused-Ring Primary Aromatic Amines by DNA binding by OASIS v.1.4

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as AN2 AND AN2 >> Michael-type addition to quinoid structures  AND AN2 >> Michael-type addition to quinoid structures  >> Substituted Anilines by Protein binding by OASIS v1.4

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Strong binder, NH2 group by Estrogen Receptor Binding

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Acid moiety AND Anilines (Unhindered) AND Salt by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "g"

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 (Modified) ONLY

Domain logical expression index: "h"

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

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Aniline AND Fused carbocyclic aromatic AND Naphtalene AND Overlapping groups AND Sulfonic acid by Organic Functional groups (nested)

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Benzamide by Organic Functional groups (nested)

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as Aniline AND Fused carbocyclic aromatic AND Naphtalene AND Overlapping groups AND Sulfonic acid by Organic Functional groups (nested)

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as Ether by Organic Functional groups (nested)

Domain logical expression index: "m"

Referential boundary: The target chemical should be classified as Aniline AND Fused carbocyclic aromatic AND Naphtalene AND Overlapping groups AND Sulfonic acid by Organic Functional groups (nested)

Domain logical expression index: "n"

Referential boundary: The target chemical should be classified as Aliphatic Amine, secondary by Organic Functional groups (nested)

Domain logical expression index: "o"

Referential boundary: The target chemical should be classified as Aniline AND Fused carbocyclic aromatic AND Naphtalene AND Overlapping groups AND Sulfonic acid by Organic Functional groups (nested)

Domain logical expression index: "p"

Referential boundary: The target chemical should be classified as Thiazole/ Isothiazole by Organic Functional groups (nested)

Domain logical expression index: "q"

Referential boundary: The target chemical should be classified as Amine AND Anion AND Aromatic compound AND Cation AND Primary amine AND Primary aromatic amine AND Sulfonic acid AND Sulfonic acid derivative by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "r"

Referential boundary: The target chemical should be classified as CO2 derivative (general) by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "s"

Parametric boundary:The target chemical should have a value of log Kow which is >= -7.08

Domain logical expression index: "t"

Parametric boundary:The target chemical should have a value of log Kow which is <= -0.333

Validity criteria fulfilled:

not specified

Conclusions:

Based on the intoxication of daphnia magna due to the exposure of sodium hydrogen 8-aminonaphthalene-1,6-disulfonate, the EC50 for 48hrs was 194.355 mg/l.

Executive summary:

Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Daphnia magna was predicted for sodium hydrogen 8-aminonaphthalene-1,6-disulfonate (74543-22-9). The EC50 value was estimated to be 194.355 mg/l when sodium hydrogen 8-aminonaphthalene-1,6-disulfonate exposed to Daphnia magna for 48hrs.

Thus based on the EC50 value sodium hydrogen 8-aminonaphthalene-1,6-disulfonate was consider as nontoxic and can be consider to be not classified as per the CLP classification criteria.

Description of key information

 Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Daphnia magna was predicted for sodium hydrogen 8-aminonaphthalene-1,6-disulfonate (74543-22-9). The EC50 value was estimated to be 194.355 mg/l when sodium hydrogen 8-aminonaphthalene-1,6-disulfonateexposed to Daphnia magna for 48hrs.

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates

Effect concentration:

194.355 mg/L

Additional information

Based on the various experimental data and prediction data for the target chemical, study have been reviewed to determine the toxic nature of sodium hydrogen 8-aminonaphthalene-1,6-disulfonate (74543-22-9) on the growth of aquatic invertebrates. The studies are as mentioned below

In the first weight of evidence predicted study for sodium hydrogen 8-aminonaphthalene-1,6-disulfonate (74543-22-9) from QSAR toolbox, 2017 Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Daphnia magna was predicted for sodium hydrogen 8-aminonaphthalene-1,6-disulfonate (74543-22-9). The EC50 value was estimated to be 194.355 mg/l when sodium hydrogen 8-aminonaphthalene-1,6-disulfonateexposed to Daphnia magna for 48hrs.

 

Similarly in another expiremental report for RA chemical 4-amino-5-hydroxyna phthalene-1,7- disulphonic acid (130-23-4) from ABITEC lab report, 2016, Determination of the inhibition of the mobility of daphnids was carried out with the substance 4-amino-5-hydroxyna phthalene-1,7- disulphonic acid according to OECD Guideline 202. The test substance was tested at the concentrations 0, 0, 0, 5, 10, 25, 50, 100, 200 mg/l.. Effects on immobilisation were observed for 48 hours. The median effective concentration (EC50) for the test substance, 4-amino-5-hydroxyna phthalene-1,7- disulphonic acid in Daphnia magna was determined to be 500 mg/L for immobilisation effects. This value indicates that the substance is likely to be non-hazardous to aquatic invertebrates and cannot be classified as per the CLP criteria.

 

Similarly in the third weight of evidence study for the RA chemical (121-57-3) from chemosphere 1994, Toxicological profile of sulphanilic acid were study on the daphnia magna for 24 hrs. From the study the EC50 value for short term toxicity to aquatic invertebrates for sulphanilic acid in 24 hrs was determined to be 109.13 mg/l. Based on the result, sulphanilic acid (121-57-3) was considered as not toxic and not classified as per the CLP regulations.

 

Similarly in the fourth weight of evidence study for the RA chemical (121-57-3) from IUCLID dataset, The short term toxicity study of sulphanilic acid to aquatic invertebrates was performed on Daphnia magna. Test was performed by static system. After the 24 hrs of exposure with chemical, the EC50 and EC100 value for Daphnia magna for Sulphanilic Acid (121-57-3) was determined to be 109.13 and 250 mg/l. Based on the value the sulphanilic Acid was considered to be non-toxic to aquatic invertebrate and can be considered to be not classified as per CLP regulations.

 

Based on the data obtain from various sources for target and RA chemicals, it can be concluded that the substance sodium hydrogen 8-aminonaphthalene-1,6- disulfonate (74543-22-9) is considered to be not toxic to aquatic environment and cannot be classified as toxic as per the criteria mentioned in CLP regulation.