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EC number: 229-872-2 | CAS number: 6798-03-4
- 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
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- 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
- Guideline:
- OECD Guideline 201 (Alga, Growth Inhibition Test)
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - IUPAC name: disodium [μ-[[7,7'-iminobis[4-hydroxy-3-[[2-hydroxy-5-sulphamoylphenyl]azo]naphthalene-2-sulphonato]](6-)]]dicuprate(2-)
- Molecular formula: C32H19Cu2N7Na2O14S4
- Molecular weight: 1026.87 g/mole
- Smiles: c1(S(=O)(=O)[O-])c(\N=N\c2cc(ccc2[O-])S(=O)(=O)N)c([O-])c2ccc(Nc3cc4cc(c(\N=N\c5c(ccc(c5)S(=O)(=O)N)[O-])c(c4cc3)[O-])S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Cu+2].[Cu+2]
- Inchl: 1S/C32H25N7O14S4.2Cu.2Na/c33-54(44,45)19-3-7-25(40)23(13-19)36-38-29-27(56(48,49)50)11-15-9-17(1-5-21(15)31(29)42)35-18-2-6-22-16(10-18)12-28(57(51,52)53)30(32(22)43)39-37-24-14-20(55(34,46)47)4-8-26(24)41;;;;/h1-14,35,40-43H,(H2,33,44,45)(H2,34,46,47)(H,48,49,50)(H,51,52,53);;;;/q;2*+2;2*+1/p-6/b38-36+,39-37+;;;;
- Substance type: Organic - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Raphidocelis subcapitata (previous names: Pseudokirchneriella subcapitata, Selenastrum capricornutum)
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 72 h
- Hardness:
- 107 mg CaCO3/L
- Test temperature:
- 22.2-23.9 degC
- pH:
- 5.8-6.0
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 129.061 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- not specified
- Basis for effect:
- growth rate
- Remarks on result:
- other: Other details not known
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Based on the growth rate inhibition of algae Pseudokirchneriella subcapitata by the chemicaldisodium [μ-[[7,7'-iminobis[4-hydroxy-3-[[2-hydroxy-5-sulphamoylphenyl]azo] naphthalene-2-sulphonato]](6-)]]dicuprate(2-), the EC50 was estimated to be 129.06 mg/l.
- 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 eight closest read across substances, toxicity on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) was predicted for disodium [μ-[[7,7'-iminobis[4-hydroxy-3-[[2-hydroxy-5-sulphamoylphenyl]azo] naphthalene-2-sulphonato]](6-)]]dicuprate(2-) (6798-03-4). Based on the growth rate inhibition of algae Pseudokirchneriella subcapitata by the chemical disodium [μ-[[7,7'-iminobis[4-hydroxy-3-[[2-hydroxy-5-sulphamoylphenyl]azo] naphthalene-2-sulphonato]](6-)]]dicuprate(2-), the EC50 was estimated to be 129.06 mg/l. Based on this value it can be concluded that the substance disodium [μ-[[7,7'-iminobis[4-hydroxy-3-[[2-hydroxy-5-sulphamoylphenyl]azo] naphthalene-2-sulphonato]](6-)]]dicuprate(2-) (6798-03-4) is considered be nontoxic to aquatic environment and cannot be 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 "f" )
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and ("o"
and (
not "p")
)
)
and ("q"
and "r" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Amine OR Anion OR Aromatic
compound OR Azo compound OR Cation OR Secondary amine OR Secondary
aromatic amine OR Sulfonamide 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 Aliphatic Nitrogen, one aromatic
attach [-N] OR Aliphatic Nitrogen, two aromatic attach [-N-] OR Aromatic
Carbon [C] OR Azo [-N=N-] OR Miscellaneous metal [Ni, Cu, Zr, Be] OR
Miscellaneous sulfide (=S) or oxide (=O) OR Nitrogen, two or tree
olefinic attach [>N-] OR Olefinic carbon [=CH- or =C<] OR Oxygen, one
aromatic attach [-O-] OR Suflur {v+4} or {v+6} OR Sulfamide, aromatic
attach [-SO2-N] OR Sulfonate, aromatic attach [-SO2-O] OR Sulfonyl
amide, aromatic attach [-S(=O)N-] OR Sulfur, nitrogen attach [-S-] 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 Overlapping groups OR Phenol OR
Sulfonamide 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 Sulfonamide OR
Sulfonic acid by Organic Functional groups ONLY
Domain
logical expression index: "e"
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: "f"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Aromatic amine [-NH2 or
-NH-] AND Aromatic-H AND Azo group [-N=N-] AND Benzene AND Four or
more fused aromatic rings AND Number of fused 6-carbon aromatic rings
AND Number of fused acyclic rings by Bioaccumulation - metabolism alerts
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Triazine ring (symmetric) OR
Triazole Ring OR Unsubstituted phenyl group (C6H5-) by Bioaccumulation -
metabolism alerts
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Aromatic amine [-NH2 or
-NH-] AND Aromatic-H AND Azo group [-N=N-] AND Benzene AND Four or
more fused aromatic rings AND Number of fused 6-carbon aromatic rings
AND Number of fused acyclic rings by Bioaccumulation - metabolism alerts
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Quaternary amine OR Sulfonic
acid / salt -> aliphatic attach OR Sulfonic acid / salt -> aromatic
attach by Bioaccumulation - metabolism alerts
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as SHOULD NOT BE PROFILED by
Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Salt by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aromatic amine [-NH2 or
-NH-] AND Aromatic-H AND Azo group [-N=N-] AND Benzene AND Four or
more fused aromatic rings AND Number of fused 6-carbon aromatic rings
AND Number of fused acyclic rings by Bioaccumulation - metabolism alerts
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Aromatic-CH3 by Bioaccumulation
- metabolism alerts
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Aromatic amine [-NH2 or
-NH-] AND Aromatic-H AND Azo group [-N=N-] AND Benzene AND Four or
more fused aromatic rings AND Number of fused 6-carbon aromatic rings
AND Number of fused acyclic rings by Bioaccumulation - metabolism alerts
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as -C=CH [alkenyl hydrogen] by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "q"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -1.79
Domain
logical expression index: "r"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= -0.669
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 eight closest read across substances, toxicity on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) was predicted for disodium [μ-[[7,7'-iminobis[4-hydroxy-3-[[2-hydroxy-5-sulphamoylphenyl]azo] naphthalene-2-sulphonato]](6-)]]dicuprate(2-) (6798-03-4). Based on the growth rate inhibition of algae Pseudokirchneriella subcapitata by the chemical disodium [μ-[[7,7'-iminobis[4-hydroxy-3-[[2-hydroxy-5-sulphamoylphenyl]azo] naphthalene-2-sulphonato]](6-)]]dicuprate(2-), the EC50 was estimated to be 129.06 mg/l. Based on this value it can be concluded that the substance disodium [μ-[[7,7'-iminobis[4-hydroxy-3-[[2-hydroxy-5-sulphamoylphenyl]azo] naphthalene-2-sulphonato]](6-)]]dicuprate(2-) (6798-03-4) is considered be nontoxic to aquatic environment and cannot be classified as per the criteria mentioned in CLP regulation.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 129.06 mg/L
Additional information
Based on the various predicted data for the target chemical and experimental data for structurally and functionally similar read across chemicals study have been reviewed to determine the toxic nature of target chemical disodium [μ-[[7,7'-iminobis[4-hydroxy-3-[[2-hydroxy-5-sulphamoylphenyl]azo] naphthalene-2-sulphonato]](6-)]]dicuprate(2-) (6798-03-4) on the growth of aquatic algae and cyanobacteria. The studies are as mentioned below:
In the first prediction for the target chemical disodium [μ-[[7,7'-iminobis[4-hydroxy-3-[[2-hydroxy-5-sulphamoylphenyl]azo] naphthalene-2-sulphonato]](6-)]]dicuprate(2-) (6798-03-4) using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the eight closest read across substances, toxicity on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) was predicted for disodium [μ-[[7,7'-iminobis[4-hydroxy-3-[[2-hydroxy-5-sulphamoylphenyl]azo] naphthalene-2-sulphonato]](6-)]]dicuprate(2-) (6798-03-4). Based on the growth rate inhibition of algae Pseudokirchneriella subcapitata by the chemical disodium [μ-[[7,7'-iminobis[4-hydroxy-3-[[2-hydroxy-5-sulphamoylphenyl]azo] naphthalene-2-sulphonato]](6-)]]dicuprate(2-), the EC50 was estimated to be 129.06 mg/l. Based on this value it can be concluded that the substance disodium [μ-[[7,7'-iminobis[4-hydroxy-3-[[2-hydroxy-5-sulphamoylphenyl]azo] naphthalene-2-sulphonato]](6-)]]dicuprate(2-) (6798-03-4) is considered be nontoxic to aquatic environment and cannot be classified as per the criteria mentioned in CLP regulation.
First predicted study was supported by the second experimental weight of evidence study for the read across chemical Amaranth dye (915-67-3) from ABITEC report 2016. Freshwater algal growth inhibition test was carried out on Desmodesmus subspicatus with the substance 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[(4-sulfo-1-naphthalenyl), sodium salt (Amaranth dye) according to OECD Guideline 201. The stock solution (200 mg/L) was prepared by dissolving brown powder in OECD growth medium. Test solutions of required concentration were prepared by mixing the stock solution of the test sample with OECD growth medium and inoculum culture and tested at the concentrations 0, 12.5, 25, 50, 100, 200 mg/L. Effects on the growth rate of the organism were studied. The median effective concentration (ErC50) for the test substance, 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[(4-sulfo-1- -naphthalenyl), sodium salt, in Desmodesmus subspicatus was determined to be 356.2 mg/L. This value indicates that the substance is likely to be non-hazardous to aquatic algae and cannot be classified as toxic as per the CLP criteria.
The third study used for another functionally similar read across chemical from the experimental lab report (586/16 report). Freshwater algal growth inhibition test was carried out on Desmodesmus subspicatus with the substance Disodium 4-hydroxy- 3-[(4-sulphonatonaphthyl)azo]naphthalene-sulphonate according to OECD Guideline 201. The test substance was dissolved in OECD growth medium and tested at the concentrations 0, 2.6, 5.6, 12.0, 27.0, 59.0 and 130 mg/L. Effects on the growth rate of the organism were studied. The median effective concentration (ErC50) for the test substance, Disodium 4-hydroxy-3-[(4-sulphonatonaphthyl)azo] naphthalenesulphonate, in Desmodesmus subspicatus was determined to be 265.1 mg/L. Based on this ErC50 value and after comparing with CLP criteria for aquatic classification of the substance it is concluded that the substance Disodium 4-hydroxy-3-[(4-sulphonatonaphthyl) azo] naphthalenesulphonate does not exhibit toxicity to aquatic algae (Desmodesmus subspicatus).
Similar classification was also observed for the most structurally similar read across chemical (2519-30-4) from the experimental test report 444/16. Short term toxicity study of Tetrasodium 1-acetamido-2-hydroxy-3-(4-((4-sulphonatophenylazo)-7-sulphonato-1-naphthylazo))naphthalene-4,6-disulphonate (Brilliant black 1) to aquatic algae Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) was conducted for 72 hrs. Test was performed according to the 201 OECD guideline in a static system. The stock solution 100 mg/l was prepared by dissolving black powder in OECD growth medium. Test solutions of required concentration were prepared by mixing the stock solution of the test sample with OECD growth medium and inoculum culture and tested at the 0, 12, 20, 35, 60, 100 mg/l nominal concentrations. Effects on the growth rate of the organism were studied. Potassium dichromate (K2Cr2O7) were used as a reference positive control. Effects on growth rate were observed for 72 hours by using nonlinear regression by the software Prism 4.0. Based on the growth rate inhibition of test organism Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) due to the chemical Tetrasodium 1-acetamido-2-hydroxy- 3-(4-((4-sulphonatophenylazo)- 7-sulphonato -1-naphthylazo)) naphthalene-4,6-disulphonate (Brilliant black 1), the effect concentration ErC50 was 76.8 mg/l. This value indicates that the substance is likely to be hazardous to aquatic algae and can be classified as aquatic chronic 3 as per the CLP criteria. But as the chemical was readily biodegradable in water so on that basis chemical was consider as nontoxic and can be consider to be not classified as per the CLP classification criteria.
Based on the predicted data for the target chemical (from OECD QSAR 2018) and for the read across chemical from experimental lab reports (ABITEC reports), it can be concluded that the substance disodium [μ-[[7,7'-iminobis[4-hydroxy-3-[[2-hydroxy-5-sulphamoylphenyl]azo] naphthalene-2-sulphonato]](6-)]]dicuprate(2-) (6798-03-4) is considered to be not toxic to aquatic environment (aquatic algae and cyanobacteria) and cannot be classified as toxic as per the criteria mentioned in CLP regulation.
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