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EC number: 246-758-8 | CAS number: 25251-42-7
- 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:
- Data is from OECD QSAR toolbox version.3.3 and QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- other: predicted data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3 with log kow as the primary discriptors.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name (IUPAC): 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid
- Molecular formula: C16H13NO7S2
- Molecular weight: 395.4107 g/mol
- Smiles notation: c1cc(cc(c1)S(=O)(=O)O)Nc2ccc3cc(cc(c3c2)O)S(=O)(=O)O
- InChl : 1S/C16H13NO7S2/c18-16-9-14(26(22,23)24)6-10-4-5-12(8-15(10)16)17-11-2-1-3-13(7-11)25(19,20)21/h1-9,17-18H,(H,19,20,21)(H,22,23,24)
- Substance type: Organic
-Physical state: light grey coloured crystalline solid - Analytical monitoring:
- not specified
- Vehicle:
- no
- Test organisms (species):
- Raphidocelis subcapitata (previous names: Pseudokirchneriella subcapitata, Selenastrum capricornutum)
- Test type:
- static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 72 h
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 386.95 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Remarks on result:
- other: not toxic
- Conclusions:
- Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the toxicity on aquatic algae was predicted 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS: 25251-42-7). Effect concentration i.e EC50 value was estimated to be 386.95 mg/l for Scenedesmus sp. for 72 hrs duration. It was concluded that the 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS: 25251-42-7) was likely to be not toxic to aquatic algae, hence it can be considered to be “not Classified” as per the CLP classification criteria for aquatic environment.
- 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 closest read across substances, the toxicity on aquatic algae was predicted 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS: 25251-42-7). Effect concentration i.e EC50 value was estimated to be 386.95 mg/l for Scenedesmus sp. for 72 hrs duration. It was concluded that the 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS: 25251-42-7) was likely to be not toxic to aquatic algae, hence it can be considered to be “not Classified” as per the CLP classification criteria for aquatic environment.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 7 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 "l" )
and "m" )
and "n" )
and ("o"
and "p" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aromatic amine OR Aryl OR Fused
carbocyclic aromatic OR Naphtalene OR Phenol OR Sulfonic acid by Organic
Functional groups ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aromatic amine OR Aryl OR Fused
carbocyclic aromatic OR Naphtalene OR Overlapping groups OR Phenol OR
Sulfonic acid by Organic Functional groups (nested) ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
OR Aliphatic Nitrogen, two aromatic attach [-N-] OR Aromatic Carbon [C]
OR Hydroxy, aromatic attach [-OH] OR Hydroxy, sulfur attach [-OH] 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 Sulfinic acid
[-S(=O)OH] OR Sulfonate, aromatic attach [-SO2-O] by Organic functional
groups (US EPA) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Amine OR Aromatic 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: "e"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Michael addition OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals OR Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Alkyl phenols OR Michael addition >> P450
Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes OR
Michael addition >> P450 Mediated Activation to Quinones and
Quinone-type Chemicals >> Hydroquinones OR SN1 OR SN1 >> Carbenium Ion
Formation OR SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and
heterocyclic (HACs) aromatic hydrocarbons-SN1 by DNA binding by OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules (GSH) by Protein binding potency
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Highly reactive (GSH) OR Highly
reactive (GSH) >> 4-Vinylpyridine (MA) by Protein binding potency
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 Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
AND Aliphatic Nitrogen, two aromatic attach [-N-] AND Aromatic Carbon
[C] AND Hydroxy, aromatic attach [-OH] AND Hydroxy, sulfur attach [-OH]
AND Miscellaneous sulfide (=S) or oxide (=O) AND Nitrogen, two or tree
olefinic attach [>N-] 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: "m"
Referential
boundary: The
target chemical should be classified as Very fast by Bioaccumulation -
metabolism half-lives ONLY
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as weeks - months by Biodeg
ultimate (Biowin 3) ONLY
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -4.34
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.86
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 closest read across substances, the toxicity on aquatic algae was predicted 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS: 25251-42-7). Effect concentration i.e EC50 value was estimated to be 386.95 mg/l for Scenedesmus sp. for 72 hrs duration. It was concluded that the 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS: 25251-42-7) was likely to be not toxic to aquatic algae, hence it can be considered to be “not Classified” as per the CLP classification criteria for aquatic environment.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 386.95 mg/L
Additional information
Following studies includes predicted data and exepimental data of target chemical and stucturally similar read across to conlcude the
4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS: 25251-42-7) toxicity extent towards aquatic algae is summarized as follows:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the toxicity on aquatic algae was predicted 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS: 25251-42-7). Effect concentration i.e EC50 value was estimated to be 386.95 mg/l for Scenedesmus sp. for 72 hrs duration. It was concluded that the 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS: 25251-42-7) was likely to be not toxic to aquatic algae, hence it can be considered to be “not Classified” as per the CLP classification criteria for aquatic environment.
The predicted study of target chemical is supported by the experimental data of read across chemical Cerium dioxide( CAS: 1306-38-3) from Toxicological sciences 2011 , indicates that the Toxicity to aquatic algae and cyanobacteria test was carried out for 24 hr under static condition to study the effects of Cerium dioxide on aquatic environment.Decreasing trend ofPhysiology (Bioluminescence) was considered as effect measurement.The Effective concentration to 50% ofAnabaena sp. At 24 Hour is 100 mg/l.It can be concluded that the Cerium oxide is not toxic to the aquatic environment.
Thus based on the effect concentrations which is in the range 100 mg/l to 386.95 mg/l give the conclusion that test substance 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS: 25251-42-7) was likely to be not toxic to aquatic algae at environmentally relevant concentrations and applying weight of evidence approach it can be considered to be“not classified”as per the CLP classification criteria.
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