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EC number: 300-523-7 | CAS number: 93941-74-3
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data

Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- 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:
- QMRF report has been attached
- Qualifier:
- according to
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox version 3.3.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name: 2-[[4-[[4-[[6-anilino-1-hydroxy-3-sulpho-2-naphthyl]azo]-1-naphthyl]azo]-6-sulpho-1-naphthyl]azo]benzene-1,4-disulphonic acid, magnesium sodium salt
- Molecular Formula: C42H29N7O13S4.xMg.xNa
- Molecular Weight: 1012.2624 g/mole
- SMILES:[Mg]_[Na]_Oc1c2ccc(Nc3ccccc3)cc2cc(S(O)(=O)=O)c1N=Nc1ccc(N=Nc2ccc(N=Nc3cc(S(O)(=O)=O)ccc3S(O)(=O)=O)c3ccc(S(O)(=O)=O)cc23)c2ccccc12
- InChI: 1S/C42H29N7O13S4.Mg.Na/c50-42-29-13-10-26(43-25-6-2-1-3-7-25)20-24(29)21-40(66(60,61)62)41(42)49-47-35-16-15-34(30-8-4-5-9-31(30)35)44-46-37-18-17-36(32-14-11-27(22-33(32)37)63(51,52) 53)45-48-38-23-28(64(54,55)56)12-19-39(38)65(57,58)59;;/h1-23,43,50H,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;/q;+2;+1/p-3/b46-44+,48-45+,49-47+;; - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Daphnia magna
- Details on test organisms:
- - Common name: Water flea
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Test temperature:
- 20 °C
- pH:
- 7.5 - 9.0
- Dissolved oxygen:
- > 40% saturation
- Nominal and measured concentrations:
- Estimated data
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 686.092 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- not specified
- Basis for effect:
- other: Intoxication
- Remarks on result:
- other: Other details not known
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Based on the immobility of test organism the EC50 value was estimated to be 686.0 mg/l when 2-[[4-[[4-[[6-anilino-1-hydroxy-3-sulpho-2-naphthyl]azo]-1-naphthyl] azo]-6-sulpho-1-naphthyl]azo]benzene- 1,4-disulphonic acid, magnesium sodium salt exposed to daphnia magna for 48 hrs.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on daphnia magna was predicted for 2-[[4-[[4-[[6-anilino-1-hydroxy-3-sulpho-2-naphthyl]azo]-1-naphthyl]azo]-6-sulpho-1-naphthyl]azo]benzene-1,4-disulphonic acid, magnesium sodium salt. Based on the immobility of test organism the EC50 value was estimated to be 686.0 mg/l when 2-[[4-[[4-[[6-anilino-1-hydroxy-3-sulpho-2-naphthyl]azo]-1-naphthyl] azo]-6-sulpho- 1-naphthyl]azo]benzene-1,4-disulphonic acid, magnesium sodium salt exposed to daphnia magna for 48 hrs.
Based on this value it can be concluded that the substance 2-[[4-[[4-[[6-anilino-1-hydroxy-3-sulpho-2-naphthyl]azo]-1-naphthyl]azo]-6-sulpho-1-naphthyl]azo]benzene-1,4-disulphonic acid, magnesium sodium salt is considered to be nontoxic to aquatic environment and cannot classified as per the criteria mentioned in CLP regulation.
Reference
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" ) and ("e" and ( not "f") ) ) and ("g" and ( not "h") ) ) and "i" ) and "j" ) and ("k" and ( not "l") ) ) and "m" ) and ("n" and ( not "o") ) ) and "p" ) and "q" ) and ("r" and ( not "s") ) ) and "t" ) and ("u" and ( not "v") ) ) and ("w" and ( not "x") ) ) and ("y" and "z" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Amine OR Aromatic compound OR Azo compound OR Hydroxy compound OR Phenol OR Secondary amine OR Secondary aromatic amine OR Sulfonic acid OR Sulfonic acid derivative by Organic functional groups, Norbert Haider (checkmol) ONLY
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as Alcohol, olefinic attach [-OH] OR Aliphatic Nitrogen, one aromatic attach [-N] OR Aliphatic Nitrogen, two aromatic attach [-N-] OR Aromatic Carbon [C] OR Azo [-N=N-] OR Hydroxy, aromatic attach [-OH] OR Hydroxy, sulfur attach [-OH] OR Magnesium [Mg] OR Miscellaneous sulfide (=S) or oxide (=O) OR Nitrogen, two or tree olefinic attach [>N-] OR No functional group found OR Olefinic carbon [=CH- or =C<] OR Oxygen, one aromatic attach [-O-] OR Suflur {v+4} or {v+6} OR Sulfinic acid [-S(=O)OH] OR Sulfonate, aromatic attach [-SO2-O] by Organic functional groups (US EPA) ONLY
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as Aromatic amine OR Aryl OR Azo OR Fused carbocyclic aromatic OR No functional group found OR Overlapping groups OR Phenol OR Sulfonic acid by Organic Functional groups (nested) ONLY
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as Aromatic amine OR Aryl OR Azo OR Fused carbocyclic aromatic OR Naphtalene OR Phenol OR Sulfonic acid by Organic Functional groups ONLY
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as No alert found by DNA binding by OASIS v.1.3
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as AN2 OR AN2 >> Nucleophilic addition to alpha, beta-unsaturated carbonyl compounds OR AN2 >> Nucleophilic addition to alpha, beta-unsaturated carbonyl compounds >> alpha, beta-Unsaturated Aldehydes OR AN2 >> Schiff base formation OR AN2 >> Schiff base formation >> alpha, beta-Unsaturated Aldehydes OR Radical OR Radical >> Radical mechanism via ROS formation (indirect) OR Radical >> Radical mechanism via ROS formation (indirect) >> p-Aminobiphenyl Analogs OR SN1 OR SN1 >> Alkylation after metabolically formed carbenium ion species OR SN1 >> Alkylation after metabolically formed carbenium ion species >> Polycyclic Aromatic Hydrocarbon Derivatives OR SN1 >> Nucleophilic attack after metabolic nitrenium ion formation OR SN1 >> Nucleophilic attack after metabolic nitrenium ion formation >> p-Aminobiphenyl Analogs OR SN2 OR SN2 >> Alkylation, direct acting epoxides and related after P450-mediated metabolic activation OR SN2 >> Alkylation, direct acting epoxides and related after P450-mediated metabolic activation >> Polycyclic Aromatic Hydrocarbon Derivatives OR SN2 >> Alkylation, nucleophilic substitution at sp3-carbon atom OR SN2 >> Alkylation, nucleophilic substitution at sp3-carbon atom >> Sulfonates and Sulfates OR SN2 >> Direct acting epoxides formed after metabolic activation OR SN2 >> Direct acting epoxides formed after metabolic activation >> Quinoline Derivatives OR SN2 >> SN2 at an activated carbon atom OR SN2 >> SN2 at an activated carbon atom >> Quinoline Derivatives by DNA binding by OASIS v.1.3
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as Non binder, MW>500 AND Non binder, non cyclic structure by Estrogen Receptor Binding
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as Moderate binder, NH2 group OR Moderate binder, OH grooup OR Non binder, impaired OH or NH2 group OR Non binder, without OH or NH2 group OR Strong binder, OH group OR Very strong binder, OH group OR Weak binder, NH2 group OR Weak binder, OH group by Estrogen Receptor Binding
Domain logical expression index: "i"
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: "j"
Referential boundary: The target chemical should be classified as Reactive unspecified by Acute aquatic toxicity MOA by OASIS ONLY
Domain logical expression index: "k"
Referential boundary: The target chemical should be classified as Acid moiety AND Inorganic Compound AND Phenols AND Salt AND SHOULD NOT BE PROFILED by Aquatic toxicity classification by ECOSAR
Domain logical expression index: "l"
Referential boundary: The target chemical should be classified as Not classified OR Not Related to an Existing ECOSAR Class OR Peroxy Acids by Aquatic toxicity classification by ECOSAR
Domain logical expression index: "m"
Referential boundary: The target chemical should be classified as Moderate AND Very fast by Bioaccumulation - metabolism half-lives ONLY
Domain logical expression index: "n"
Referential boundary: The target chemical should be classified as Not categorized by Repeated dose (HESS)
Domain logical expression index: "o"
Referential boundary: The target chemical should be classified as Aliphatic nitriles (Hepatotoxicity) Rank B by Repeated dose (HESS)
Domain logical expression index: "p"
Referential boundary: The target chemical should be classified as Alcohol, olefinic attach [-OH] AND Aliphatic Nitrogen, one aromatic attach [-N] AND Aliphatic Nitrogen, two aromatic attach [-N-] AND Aromatic Carbon [C] AND Azo [-N=N-] AND Hydroxy, aromatic attach [-OH] AND Hydroxy, sulfur attach [-OH] AND Magnesium [Mg] AND Miscellaneous sulfide (=S) or oxide (=O) AND Nitrogen, two or tree olefinic attach [>N-] AND No functional group found AND Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] AND Suflur {v+4} or {v+6} AND Sulfinic acid [-S(=O)OH] AND Sulfonate, aromatic attach [-SO2-O] by Organic functional groups (US EPA) ONLY
Domain logical expression index: "q"
Referential boundary: The target chemical should be classified as days - weeks AND longer than months by Biodeg ultimate (Biowin 3) ONLY
Domain logical expression index: "r"
Referential boundary: The target chemical should be classified as Acidic [90,100] AND Basic [20,30) AND No pKa value AND No pKb value by Ionization at pH = 1
Domain logical expression index: "s"
Referential boundary: The target chemical should be classified as Acidic [0,10) by Ionization at pH = 1
Domain logical expression index: "t"
Referential boundary: The target chemical should be classified as High (Class III) AND Low (Class I) by Toxic hazard classification by Cramer (with extensions) ONLY
Domain logical expression index: "u"
Referential boundary: The target chemical should be classified as Aromatic alcohol [-OH] AND Aromatic amine [-NH2 or -NH-] AND Aromatic-H AND Azo group [-N=N-] AND Benzene AND Naphthalene AND No alert found AND Number of fused 6-carbon aromatic rings AND Sulfonic acid / salt -> aromatic attach AND Unsubstituted phenyl group (C6H5-) by Bioaccumulation - metabolism alerts
Domain logical expression index: "v"
Referential boundary: The target chemical should be classified as Quaternary amine by Bioaccumulation - metabolism alerts
Domain logical expression index: "w"
Referential boundary: The target chemical should be classified as Group 1 - Alkali Earth Li,Na,K,Rb,Cs,Fr AND Group 14 - Carbon C AND Group 15 - Nitrogen N AND Group 16 - Oxygen O AND Group 16 - Sulfur S AND Group 2 - Alkaline Earth Be,Mg,Ca,Sr,Ba,Ra by Chemical elements
Domain logical expression index: "x"
Referential boundary: The target chemical should be classified as Group 17 - Halogens Br by Chemical elements
Domain logical expression index: "y"
Parametric boundary:The target chemical should have a value of log Kow which is >= -0.773
Domain logical expression index: "z"
Parametric boundary:The target chemical should have a value of log Kow which is <= 2.23
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on daphnia magna was predicted for 2-[[4-[[4-[[6-anilino-1-hydroxy-3-sulpho-2-naphthyl]azo]-1-naphthyl]azo]-6-sulpho-1-naphthyl]azo] benzene- 1,4-disulphonic acid, magnesium sodium salt. Based on the immobility of test organism the EC50 value was estimated to be 686.0 mg/l when 2-[[4-[[4-[[6-anilino-1-hydroxy-3-sulpho-2- naphthyl]azo]-1-naphthyl] azo]-6-sulpho- 1-naphthyl]azo]benzene-1,4-disulphonic acid, magnesium sodium salt exposed to daphnia magna for 48 hrs. Based on this value it can be concluded that the substance 2-[[4-[[4-[[6-anilino-1-hydroxy-3-sulpho-2-naphthyl]azo]-1-naphthyl]azo]-6-sulpho-1-naphthyl]azo]benzene-1,4-disulphonic acid, magnesium sodium salt is considered to be nontoxic to aquatic environment and cannot classified as per the criteria mentioned in CLP regulation.
Key value for chemical safety assessment
- EC50/LC50 for freshwater invertebrates:
- 686 mg/L
Additional information
Based on the various prediction data for the target chemical and experimental data for the read across chemical study have been reviewed to determine the toxic nature of 2-[[4-[[4-[[6-anilino-1-hydroxy-3-sulpho-2-naphthyl]azo]-1-naphthyl]azo]-6-sulpho-1-naphthyl]azo]benzene-1,4-disulphonic acid, magnesium sodium salt (93941-74-3) on the mobility of aquatic invertebrates. The studies are as mentioned below:
In the first predicted study for the target chemical 2-[[4-[[4-[[6-anilino-1-hydroxy-3-sulpho-2-naphthyl]azo]-1-naphthyl]azo]-6-sulpho-1-naphthyl]azo]benzene-1,4-disulphonic acid, magnesium sodium salt (93941-74-3) from QSAR toolbox 2017, study was carried out. Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on daphnia magna was predicted for 2-[[4-[[4-[[6-anilino-1-hydroxy-3-sulpho-2-naphthyl]azo]-1-naphthyl]azo]-6-sulpho-1-naphthyl]azo] benzene- 1,4-disulphonic acid, magnesium sodium salt. Based on the immobility of test organism the EC50 value was estimated to be 686.0 mg/l when 2-[[4-[[4-[[6-anilino-1-hydroxy-3-sulpho-2- naphthyl]azo]-1-naphthyl] azo]-6-sulpho- 1-naphthyl]azo]benzene-1,4-disulphonic acid, magnesium sodium salt exposed to daphnia magna for 48 hrs. Based on this value it can be concluded that the substance 2-[[4-[[4-[[6-anilino-1-hydroxy-3-sulpho-2-naphthyl]azo]-1-naphthyl]azo]-6-sulpho-1-naphthyl]azo]benzene-1,4-disulphonic acid, magnesium sodium salt is considered to be nontoxic to aquatic environment and cannot classified as per the criteria mentioned in CLP regulation.
First predicted study was supported by the other experimental study for the read across chemical Brilliant black 1 (2519-30-4) from ABITEC lab report 2016. Aim of the study was to assess the effect of chemical tetrasodium 1-acetamido-2-hydroxy-3-(4-((4-sulphonatophenylazo)-7-sulphonato-1-naphthylazo))naphthalene-4,6-disulphonate (Brilliant black 1) on the mobility of daphnia magna. Test was conducted according to OECD Guideline 202. The stock solution 100 mg/l was prepared by dissolving red powder in reconstituted water. Test solutions of required concentration as were prepared by mixing the stock solution of the test sample with reconstituted test water. The test substance was tested at the 0, 5, 10, 20, 40, 80, 160 mg/l nominal concentration. Potassium dichromate (K2Cr2O7) were used as a reference positive control. Effects on immobilisation were observed for 48 hours by using nonlinear regression by the software Prism 4.0. After the exposure of chemical for 48 hrs, 50 % immobility was observed. Based on the immobility of daphnia magna, the median effective concentration (EC50) for the test substance, tetrasodium 1-acetamido-2-hydroxy-3-(4- ((4-sulphonatophenylazo)-7-sulphonato-1-naphthylazo)) naphthalene-4,6-disulphonate (Brilliant black 1), in Daphnia magna was determined to be > 900 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 toxic as per the CLP classification criteria.
Similarly in the third weight of evidence study for the read across chemical disodium 4-hydroxy-3-[(4-sulphonatonaphthyl)azo]naphthalenesulphonate (3567-69-9) from ABITEC report 2016, toxicity study was carried out. Aim of the study was to assess the effect of chemical disodium 4-hydroxy-3-[(4-sulphonatonaphthyl)azo]naphthalenesulphonate on the mobility of daphnia magna. Test was conducted according to OECD Guideline 202. The stock solution 150 mg/l was prepared by dissolving dark red powder in reconstituted water. Test solutions of required concentration as were prepared by mixing the stock solution of the test sample with reconstituted test water. The test substance was tested at the 0, 0, 10, 45, 67.5, 100, 150 mg/l nominal concentration. Potassium dichromate (K2Cr2O7) were used as a reference positive control. Effects on immobilisation were observed for 48 hours by using nonlinear regression by the software Prism 4.0. After the exposure of chemical for 48 hrs 50 % immobility was observed. Based on the immobility of daphnia magna, the median effective concentration (EC50) for the test substance, disodium 4-hydroxy-3- [(4-sulphonatonaphthyl)azo]naphthalenesulphonate, in Daphnia magna was determined to be 203.2 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 toxic as per the CLP criteria.
Thus based on the predicted data for the target chemical and experimental studies for the read across chemical obtain from various ABITEC lab reports 2016, it was concluded that the chemical 2-[[4-[[4-[[6-anilino-1-hydroxy-3-sulpho-2-naphthyl]azo]-1-naphthyl]azo]-6-sulpho-1-naphthyl]azo]benzene-1,4-disulphonic acid, magnesium sodium salt (93941-74-3) was consider as nontoxic and can be consider to be not classified as toxic to aquatic invertebrates as per CLP classification criteria.
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