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EC number: 224-924-0 | CAS number: 4553-89-3
- 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
Acute Toxicity: dermal
Administrative data
- Endpoint:
- acute toxicity: dermal
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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:
- The prediction is done using QSAR Toolbox version 3.3 and thr supportig QMRF has been attached.
Data source
Reference
- Reference Type:
- other: Predicted data
- Title:
- Estimation for LD50 for CAS 4553-89-3
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 015
- Bibliographic source:
- OECD QSAR Toolbox version 3.3
Materials and methods
- Principles of method if other than guideline:
- The prediction is done using QSAR Toolbox version 3.
- GLP compliance:
- no
- Test type:
- standard acute method
Test material
- Reference substance name:
- Disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate
- EC Number:
- 224-924-0
- EC Name:
- Disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate
- Cas Number:
- 4553-89-3
- Molecular formula:
- C27H20N4O9S2.2Na
- IUPAC Name:
- disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Name of test material (as cited in study report): Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate)
- Molecular formula: C27H20N4O9S2.2Na
- Molecular weight: 654.58 g/mol
- Substance type: Organic
- Physical state: Solid
Constituent 1
Test animals
- Species:
- rabbit
- Strain:
- not specified
- Sex:
- not specified
Administration / exposure
- Type of coverage:
- not specified
- Vehicle:
- not specified
- Duration of exposure:
- 24 hr
- Doses:
- no data available
- No. of animals per sex per dose:
- no data available
- Control animals:
- not specified
Results and discussion
Effect levels
- Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 35 636.23 mg/kg bw
- Based on:
- test mat.
- Mortality:
- no data available
- Clinical signs:
- other: no data available
- Gross pathology:
- no data available
- Other findings:
- no data available
Any other information on results incl. tables
The
prediction was based on dataset comprised from the following
descriptors: LD50
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" )
and ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and ("j"
and "k" )
)
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 No alert found by DNA binding by
OECD
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Non binder, MW>500 by Estrogen
Receptor Binding
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Benzyl Alcohols
AND Phenols, Poly AND Salt by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Alcohol AND Anion AND Aromatic
compound AND Azo compound AND Cation AND Hydroxy compound AND Phenol AND
Primary alcohol AND Sulfonic acid derivative by Organic functional
groups, Norbert Haider (checkmol)
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as 1,2-aminoalcohol OR 1,2-diol OR
Acetal OR Aldehyde OR Alkene OR Alkyl bromide OR Alkyl chloride OR Alkyl
fluoride OR Alkyl halide OR Alkylarylether OR Alkylthiol OR Alkyne OR
Alpha-hydroxyacid OR Amine OR Aryl bromide OR Aryl chloride OR Aryl
fluoride OR Aryl halide OR Carbamic acid ester (uretane) OR Carbonic
acid derivative OR Carbonic acid diester OR Carbonic acid ester halide
OR Carbonyl compound OR Carboxylic acid OR Carboxylic acid amide OR
Carboxylic acid anhydride OR Carboxylic acid derivative OR Carboxylic
acid ester OR Carboxylic acid orthoester OR Carboxylic acid prim. amide
OR Carboxylic acid salt OR Carboxylic acid sec. amide OR Carboxylic acid
tert. amide OR CO2 derivative (general) OR Dialkylether OR Diarylether
OR Disulfide OR Enolether OR Ether OR Guanidine OR Halogen derivative OR
Hemiacetal OR Heterocyclic compound OR Hydroperoxide OR Hydroxylamine OR
Imine OR Isothiourea OR Ketone OR Lactam OR Lactone OR Nitrate OR
Nitrile OR Nitro compound OR No functional group found OR N-oxide OR
Orthocarboxylic acid derivative OR Oxime OR Peroxide OR Phosphine OR
Phosphinoxide OR Phosphonic acid OR Phosphonic acid derivative OR
Phosphonic acid ester OR Phosphoric acid OR Phosphoric acid derivative
OR Phosphoric acid ester OR Primary aliphatic amine OR Primary amine OR
Primary aromatic amine OR Quaternary ammonium salt OR Secondary alcohol
OR Secondary aliphatic amine OR Secondary amine OR Secondary aromatic
amine OR Sulfenic acid derivative OR Sulfonic acid OR Sulfonyl halide OR
Sulfuric acid derivative OR Tertiary alcohol OR Tertiary aliphatic amine
OR Tertiary amine OR Thiocarbonic acid derivative OR Thioether OR Thiol
OR Thiolactone OR Thiophosphoric acid amide OR Thiophosphoric acid
derivative OR Thiophosphoric acid ester OR Thiourea by Organic
functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Alcohol AND Aryl AND Azo AND
Benzyl AND Fused carbocyclic aromatic AND Naphtalene AND Phenol AND
Sulfonic acid by Organic Functional groups
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Alkane branched with quaternary
carbon OR Alkane, branched with tertiary carbon OR Alkene OR Alkoxy OR
AlkoxySilane OR Alkyl arenes OR Alkyne OR Allyl OR Alpha,beta
unsaturated aldehyde OR Benzotriazole OR Biphenyl OR Cycloalkane OR
Ether OR Fused heterocyclic aromatic OR Fused saturated heterocycles OR
Heterocyclic Phenol OR Heterocyclic spiro rings OR Isopropyl OR Ketone
OR No functional group found OR Phosphite ester OR Pyridine OR
Quinoline/ Isoquinoline OR Saturated heterocyclic fragment OR Silane OR
tert-Butyl OR Tetralin OR Thiophosphate OR Tin, organo OR Triazine OR
Unsaturated heterocyclic amine OR Unsaturated heterocyclic fragment by
Organic Functional groups
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.269
Domain
logical expression index: "k"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.03
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- The median lethal dose (LD50) for the substance Disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate is estimated to be 35636.23 mg/Kg in rabbits via dermal route.
- Executive summary:
The acute toxicity by dermal route of Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) is estimated using QSAR Toolbox version 3.3. The median lethal dose (LD50) for the substance Disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate is estimated to be 35636.23 mg/Kg in rabbits via dermal route. This value indicates that the substance is not likely to exhibit toxicity by dermal route as per the CLP criteria.
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