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EC number: 274-356-2 | CAS number: 70161-20-5
- 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
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: screening tests
- 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:
- The supporting QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- Principles of method if other than guideline:
- The prediction was done by using OECD QSAR tool box v3.4
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: Trisodium [2-[[α-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)] cuprate(3-)
- IUPAC name: Trisodium [2-[[α-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cuprate(3-)
- Molecular formula: C24H11Cl3CuN7O9S2.3Na
- Molecular weight: 822.41 g/mole
- Smiles :Clc4c(nc(nc4Cl)Cl)Nc5cc(cc7c5O[Cu]63N7=NC(c2ccccc2)N=N6c1c(cc(cc1)S(=O)(=O)O[Na])C(=O)O3)S(=O)(=O)O[Na]
- Substance type: Organic
- Physical state: Solid - Oxygen conditions:
- not specified
- Inoculum or test system:
- other: Microorganisms
- Duration of test (contact time):
- 28 d
- Parameter followed for biodegradation estimation:
- other: BOD
- Key result
- Parameter:
- other: BOD
- Value:
- 0.783
- Sampling time:
- 28 d
- Remarks on result:
- other: other details not available
- Details on results:
- Percent biodegradation of test chemical Trisodium [2-[[α-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cuprate(3-) (CAS no. 70161-20-5) was estimated to be 0.7833 % by considering BOD as parameter in 28 days.
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- Percent biodegradation of test chemical Trisodium [2-[[α-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cuprate(3-) (CAS no. 70161-20-5) was estimated to be 0.7833 % by considering BOD as parameter and microorganisms as inoculum in 28 days. Based on this percent biodegradability value it is concluded that this test chemical is not readily biodegradable.
- Executive summary:
Biodegradability of test chemical Trisodium [2-[[α-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cuprate(3-) (CAS no.70161 -20 -5) was estimated by using OECD QSAR tool box v3.4 considering five closest read across chemicals with log kow as primary descriptor. Percent biodegradation of test chemical Trisodium [2-[[α-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cuprate(3-) (CAS no. 70161-20-5) was estimated to be 0.7833 % by considering BOD as parameter and microorganisms as inoculum in 28 days. Based on this percent biodegradability value it is concluded that this test chemical is not readily biodegradable.
Reference
The
prediction was based on dataset comprised from the following
descriptors: BOD
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((("a"
or "b" or "c" )
and "d" )
and "e" )
and ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and ("n"
and (
not "o")
)
)
and ("p"
and (
not "q")
)
)
and "r" )
and ("s"
and "t" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Michael addition AND Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals AND Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Arenes by DNA binding by OECD
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as SNAr AND SNAr >> Nucleophilic
aromatic substitution on activated aryl and heteroaryl compounds AND
SNAr >> Nucleophilic aromatic substitution on activated aryl and
heteroaryl compounds >> Activated aryl and heteroaryl compounds by
Protein binding by OASIS v1.4
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as SNAr AND SNAr >> Nucleophilic
aromatic substitution AND SNAr >> Nucleophilic aromatic substitution >>
Halo-pyrimidines by Protein binding by OECD
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 6) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 7) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as No pKa value AND No pKb value by
Ionization at pH = 1
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Basic [0,10) by Ionization at pH
= 1
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aromatic
heterocyclic halide AND Aryl AND Aryl halide AND Carboxylic acid AND
Fused carbocyclic aromatic AND Fused saturated heterocycles AND Fused
unsaturated heterocycles AND N-Alkyldiazene AND Phenol AND Pyrimidine
AND Sulfonic acid AND Unsaturated heterocyclic fragment by Organic
Functional groups
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Alkene by Organic Functional
groups
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aromatic
heterocyclic halide AND Aryl AND Aryl halide AND Carboxylic acid AND
Fused carbocyclic aromatic AND Fused saturated heterocycles AND Fused
unsaturated heterocycles AND N-Alkyldiazene AND Phenol AND Pyrimidine
AND Sulfonic acid AND Unsaturated heterocyclic fragment by Organic
Functional groups
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Alkyl arenes by Organic
Functional groups
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aromatic
heterocyclic halide AND Aryl AND Aryl halide AND Carboxylic acid AND
Fused carbocyclic aromatic AND Fused saturated heterocycles AND Fused
unsaturated heterocycles AND N-Alkyldiazene AND Phenol AND Pyrimidine
AND Sulfonic acid AND Unsaturated heterocyclic fragment by Organic
Functional groups
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Alkyl halide by Organic
Functional groups
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aromatic
heterocyclic halide AND Aryl AND Aryl halide AND Carboxylic acid AND
Fused carbocyclic aromatic AND Fused saturated heterocycles AND Fused
unsaturated heterocycles AND N-Alkyldiazene AND Phenol AND Pyrimidine
AND Sulfonic acid AND Unsaturated heterocyclic fragment by Organic
Functional groups
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Nitrile OR Nitrobenzene by
Organic Functional groups
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aromatic
heterocyclic halide AND Aryl AND Aryl halide AND Carboxylic acid AND
Fused carbocyclic aromatic AND Fused saturated heterocycles AND Fused
unsaturated heterocycles AND N-Alkyldiazene AND Phenol AND Pyrimidine
AND Sulfonic acid AND Unsaturated heterocyclic fragment by Organic
Functional groups
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Tetralin by Organic Functional
groups
Domain
logical expression index: "r"
Similarity
boundary:Target:
OS(=O)(=O)c1ccc2c(c1)C(=O)O{-}.[Cu]{2+}13N2=NC(c2ccccc2)N=N1c1cc(S(O)(=O)=O)cc(Nc2c(Cl)c(Cl)nc(Cl)n2)c1O{-}.3
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "s"
Parametric
boundary:The
target chemical should have a value of BCF which is >= 0.349 log(L/kg
wet)
Domain
logical expression index: "t"
Parametric
boundary:The
target chemical should have a value of BCF which is <= 0.971 log(L/kg
wet)
Description of key information
Biodegradability of test chemical Trisodium [2-[[α-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cuprate(3-) (CAS no.70161 -20 -5) was estimated by using OECD QSAR tool box v3.4 considering five closest read across chemicals with log kow as primary descriptor. Percent biodegradation of test chemical Trisodium [2-[[α-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cuprate(3-) (CAS no. 70161-20-5) was estimated to be 0.7833 % by considering BOD as parameter and microorganisms as inoculum in 28 days. Based on this percent biodegradability value it is concluded that this test chemical is not readily biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
Additional information
Predicted data study for target chemical Trisodium [2-[[α-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cuprate(3-) (CAS no.70161 -20 -5) and two experimental studies for read across chemicals have been conducted and their results are summarized below for biodegradation endpoint.
In first weight of evidence study the biodegradability of test chemical Trisodium [2-[[α-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cuprate(3-) (CAS no.70161 -20 -5) was estimated by using OECD QSAR tool box v3.4 considering five closest read across chemicals with log kow as primary descriptor. Percent biodegradation of test chemical Trisodium [2-[[α-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cuprate(3-) (CAS no. 70161-20-5) was estimated to be 0.7833 % by considering BOD as parameter and microorganisms as inoculum in 28 days. Based on this percent biodegradability value it is concluded that this test chemical is not readily biodegradable.
Another experimental weight of evidence study was done from Unique Ecotox Research Laboratory ( 2016) in this study the 28-days Manometric respirometry test was used by following the OECD guideline 301 F to determine the ready biodegradability of the read across chemical aluminium, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-1H-indole-5-sulfonic acid complex (CAS No. 16521 -38 -3). The test system included control, test item and reference item. The concentration of read across chemical and reference item (Sodium Benzoate) chosen for the study was and 30 mg/l, while that of inoculum was 10ml/l. ThOD (Theoretical oxygen demand) of read across chemical and reference item was determined by calculation. % Degradation was calculated using the values of BOD and ThOD for read across chemical item and reference item. The BOD28 value of aluminium, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-1H-indole-5-sulfonic acid complex was observed to be 0.067 mgO2/mg. ThOD was calculated as 1.460 mgO2/mg. Accordingly, the % degradation of the read across chemical after 28 days of incubation at 20 ± 1°C according to manometric respirometry test was determined to be -4.566 %. Based on the results, the read across chemical, under the test conditions, was considered to be not readily biodegradable at 20 ± 1°C over a period of 28 days.
Last weight of evidence study was done by from authoritative database (J check, 2017) in this study the Biodegradation experiment was carried out of read across chemical 2-Chloro-4-ethylamine-6-isopropylamine-1,3,5-triazine (CAS no. 1912-24-9) by taking activated sludge as inoculums at 30 mg/L concentration . The initial concentration of read across chemical taken was 100 mg/L. Biodegradation was analyzed by using two parameters namely BOD and HPLC. The study design was of standard type. Percent biodegradation of read across chemical2-Chloro-4-ethylamine-6-isopropylamine-1,3,5-triazine was observed to be 1.0 % by both BOD and HPLC parameters in 28 days. Therefore it is concluded that read across chemical 2-Chloro-4-ethylamine-6-isopropylamine-1,3,5-triazine is not readily biodegradable.
On the basis of all the studies mentioned above it can be concluded that test chemical Trisodium [2-[[α-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cuprate(3-) (CAS no.70161 -20 -5) is not readily biodegradable.
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