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EC number: 229-029-9 | CAS number: 6406-56-0
- 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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Data is from computational model developed by USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- Prediction done using BCFBAF (v3.01) model
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): Sodium 4-(4-(2-hydroxynaphthalenylazo)phenylazo)benzenesulphonate
- Common name: Acid Red 151
- Molecular formula: C22H15N4O4S.Na
- Molecular weight: 455.448 g/mol
-Physical state: red to brown powder
- Smiles notation: c12c(\N=N\c3ccc(\N=N\c4ccc(S(O)(=O)=O)cc4)cc3)c(ccc1cccc2)O.[Na+]
- InChl: 1S/C22H16N4O4S.Na/c27-21-14-5-15-3-1-2-4-20(15)22(21)26-25-17-8-6-16(7-9-17)23-24-18-10-12-19(13-11-18)31(28,29)30;/h1-14,27H,(H,28,29,30);/q;+1/b24-23+,26-25+;
- Substance type: Organic - Radiolabelling:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- other: estimation
- Water / sediment media type:
- natural water: freshwater
- Test temperature:
- 25 deg.C
- Reference substance (positive control):
- not specified
- Key result
- Temp.:
- 25 °C
- Type:
- BCF
- Value:
- 3.162 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: estimated
- Remarks on result:
- other: non bioaccumulative
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for sodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonate (CAS No.6406-56-0) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical sodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonate is non bioaccumulative in food chain.
- Executive summary:
Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for sodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonate (CAS No.6406-56-0) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical sodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonate is non bioaccumulative in food chain.
Reference
BCFBAF Program (v3.01) Results:
==============================
SMILES : O=S(=O)(c3ccc(cc3)N=Nc4cccc(c4)N=Nc1c(c2c(cc1)cccc2)O)O
CHEM : Benzenesulfonic acid, 4-[[4-[(2-hydroxy-1-naphthalenyl)azo]phenyl]azo
]-, monosodium salt
MOL FOR: C22 H16 N4 O4 S1
MOL WT : 432.46
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)
Biotransformation Half-Life (days) : 2.69 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 2.91 (BAF = 822 L/kg wet-wt)
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 4.47
Equation Used to Make BCF estimate:
Log BCF = 0.50 (Ionic; Log Kow dependent)
Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt)
Description of key information
Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for sodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonate (CAS No.6406-56-0) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical sodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonate is non bioaccumulative in food chain.
Key value for chemical safety assessment
- BCF (aquatic species):
- 3.162 L/kg ww
Additional information
Predicted data for target chemical sodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonate (CAS No.6406-56-0) and supporting weight if evidence study for its read across chemical have been studied and their results are summarized below.
The first weight of evidence study was done by Using BCFBAF Program (v3.00) model of Estimation Program Interface (EPI suite 2017) in this study the estimated bio concentration factor (BCF) for sodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonate (CAS No.6406-56-0) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000.
Next weight of evidence study was done by using Bio-concentration Factor (v12.1.0.50374) module of Advanced Chemistry Development (ACD) / I lab predictive module in this study the Bio-concentration Factor at range pH 3-14 of the chemical sodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonate (CAS no.6406 -56 -0) estimated to be 1.0 dimensionless. This value indicates that the chemical sodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonate is nonbioaccumulative in aquatic organisms as this value does not exceed 2000 criteria.
Next weight of evidence study was done from CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the bioaccumulation i.e BCF for test substance sodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonate (CAS no.6406 -56 -0) was estimated to be 21.9 dimensionless . The predicted BCF result was based on the 5 OECD principles. Thus based on the result it is concluded that the test substance sodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonate is non-bioaccumulative in nature, because the bioconcentration factor in fish is less than 2000.
Last weight of evidence study was done from authoritative database (HSDB, 2017) for structurally similar read cross chemical in this study the ionic character of read across disodium 6-hydroxy-5-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate(CAS no. 2783-94-0) suggests the potential for bioconcentration in aquatic organisms is expected to be low.
On the basis of all the studies mentioned above it observed that BCF value was in range of 1- 21.9 dimensionless on the basis of this value it can be concluded that target chemical Sodium 4-(4-(2-hydroxynaphthalenylazo)phenylazo)benzenesulphonate (CAS no. 6406-56-0) is non bioaccumulative in nature as this range value is far less than 2000 criteria.
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