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EC number: 281-619-5 | CAS number: 84000-63-5
- 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
Toxicity to microorganisms
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to microorganisms
- 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.
- Principles of method if other than guideline:
- Prediction is done using OECD QSAR Toolbox version 3.3 with respect to the descriptor Primary biodeg (Biowin 4).
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: Disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl -6-oxo-3-pyridyl]azo]- 4-[[4-chloro-6-[[3-[[2- (sulphona tooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate.
- Molecular formula : C26H24ClN9Na2O12S3
- Molecular weight : 832.1576 g/mol
- Smiles notation: CCn1c(c(c(c(c1=O)C (=O)N)C)/N=N/c2cc(ccc2S(=O)(=O)[O-]) Nc3nc(nc(n3)Cl)Nc4cccc(c4)S(=O)(=O)CCOS(=O) (=O)[O-])O. [Na+].[Na+]
- Substance type: Organic - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Tetrahymena pyriformis
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Hardness:
- No data
- Test temperature:
- 24 deg C
- pH:
- 6.9
- Dissolved oxygen:
- No data
- Salinity:
- No data
- Conductivity:
- No data
- Nominal and measured concentrations:
- No data
- Details on test conditions:
- No data
- Reference substance (positive control):
- not specified
- Duration:
- 48 h
- Dose descriptor:
- other: IGC50
- Effect conc.:
- 27.809 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth inhibition
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The inhibition growth concentration (IGC50) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4- chloro-6- [[3-[[2-(sulphonatooxy)ethyl] sulphonyl]phenyl]amino] -1,3, 5-triazin-2-yl]amino]benzenesulphonate in microorganism (Tetrahymena pyriformis) on the basis of growth inhibition effect was estimated to be 27.809 mg/L.
- Executive summary:
A study was predicted using OECD QSAR toolbox version 3.3 with respect to the descriptor Primary biodeg (Biowin 4), to assess the toxicity effect of disodium 2-[[5-carbamoyl-1-ethyl-1 ,6-dihydro-2- hydro xy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phen yl]amino]-1,3,5- triazin- 2-yl]amino]benzene sulphonate (CAS No.84000-63-5) in microorganism (tetrahymena pyriformis) in a 48 hours of exposure. The inhibition growth concentration (IGC50) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4- chloro-6- [[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl] amino] -1,3, 5-triazin-2-yl]amino]benzenesulphonate in microorganism (Tetrahymena pyriformis) on the basis of growth inhibition effect was estimated to be 27.809 mg/L.
Reference
The
prediction was based on dataset comprised from the following
descriptors: IGC50
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" or "f" or "g" or "h" or "i" )
or "j" or "k" )
and "l" )
and ("m"
and (
not "n")
)
)
and "o" )
and ("p"
and "q" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Imides (Acute toxicity) AND
Substituted Triazines (Acute toxicity) AND Vinyl Sulfones by US-EPA New
Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Imides (Acute toxicity) OR
Substituted Triazines (Acute toxicity) OR Vinyl Sulfones by US-EPA New
Chemical Categories ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Non-specific AND Non-specific >>
Incorporation into DNA/RNA, due to structural analogy with nucleoside
bases AND Non-specific >> Incorporation into DNA/RNA, due to
structural analogy with nucleoside bases >> Specific Imine and
Thione Derivatives AND Radical AND Radical >> Radical mechanism via ROS
formation (indirect) AND Radical >> Radical mechanism via ROS formation
(indirect) >> Specific Imine and Thione Derivatives AND SN1 AND SN1 >>
Nucleophilic substitution on diazonium ions AND SN1 >> Nucleophilic
substitution on diazonium ions >> Specific Imine and Thione Derivatives
by DNA binding by OASIS v.1.3
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as SN1 AND SN1 >> Iminium Ion
Formation AND SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines
by DNA binding by OECD
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Nucleophilic addition AND
Nucleophilic addition >> Addition to carbon-hetero double bonds AND
Nucleophilic addition >> Addition to carbon-hetero double bonds >>
Ketones AND 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 v1.3
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Direct Acylation Involving a Leaving group AND Acylation >> Direct
Acylation Involving a Leaving group >> Acetates AND SNAr AND SNAr >>
Nucleophilic aromatic substitution AND SNAr >> Nucleophilic aromatic
substitution >> Halo-triazines by Protein binding by OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Acrylamides AND
Hydrazines AND Imides AND Salt AND Triazines, Aromatic by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Acid moiety OR Acrylamides OR
Hydrazines OR Imides OR Salt OR Triazines, Aromatic by Aquatic toxicity
classification by ECOSAR ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Nucleophilic addition OR
Nucleophilic addition >> Addition to carbon-hetero double bonds OR
Nucleophilic addition >> Addition to carbon-hetero double bonds >>
Ketones OR SNAr OR SNAr >> Nucleophilic aromatic substitution on
activated aryl and heteroaryl compounds OR SNAr >> Nucleophilic aromatic
substitution on activated aryl and heteroaryl compounds >> Activated
aryl and heteroaryl compounds by Protein binding by OASIS v1.3 ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Activated N-heterocycles OR
Esters of organic sulfonic or sulfuric esters OR Hydrazines,hydrazonium
salts by Skin irritation/corrosion Inclusion rules by BfR ONLY
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Acrylamide Reactive Functional
Groups AND Aromatic Amine Type Compounds by Oncologic Primary
Classification
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Not calculated by Hydrolysis
half-life (Kb, pH 8)(Hydrowin) ONLY
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as High reactive AND High reactive
>> Activated 1,3,5-triazine derivatives by DPRA Lysine peptide depletion
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Low reactive by DPRA Lysine
peptide depletion
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 6) ONLY
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of Primary biodeg (Biowin 4) which
is >= 2.41
Domain
logical expression index: "q"
Parametric
boundary:The
target chemical should have a value of Primary biodeg (Biowin 4) which
is <= 2.7
Description of key information
A study was predicted using OECD QSAR toolbox version 3.3 with respect to the descriptor Primary biodeg (Biowin 4), to assess the toxicity effect of disodium 2-[[5-carbamoyl-1-ethyl-1 ,6-dihydro-2- hydro xy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phen yl]amino]-1,3,5- triazin- 2-yl]amino]benzene sulphonate (CAS No.84000-63-5) in microorganism (tetrahymena pyriformis) in a 48 hours of exposure. The inhibition growth concentration (IGC50) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4- chloro-6- [[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl] amino] -1,3, 5-triazin-2-yl]amino]benzenesulphonate in microorganism (Tetrahymena pyriformis) on the basis of growth inhibition effect was estimated to be 27.809 mg/L.
Key value for chemical safety assessment
Additional information
Various studies including predicted results from validated model and experimental study from a peer-reviewed journal for toxicity to microorganism with the target substancedisodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl] sulphonyl] phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate(CAS No. 84000-63-5) and the relevant read across substance disodium 6-hydroxy-5-[(4-sulphonato phenyl)azo] naphthalene-2- sulphonate (CAS No.- 2783-94-0) by considering its structure-activity relationships, were summarized as follows:
A study was predicted using OECD QSAR toolbox version 3.3 with respect to the descriptor Primary biodeg (Biowin 4), to assess the toxicity effect of disodium 2-[[5-carbamoyl-1-ethyl-1 ,6-dihydro-2- hydro xy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phen yl]amino]-1,3,5- triazin- 2-yl]amino]benzene sulphonate (CAS No.84000-63-5) in microorganism (tetrahymena pyriformis) in a 48 hours of exposure. The inhibition growth concentration (IGC50) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4- chloro-6- [[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl] amino] -1,3, 5-triazin-2-yl]amino]benzenesulphonate in microorganism (Tetrahymena pyriformis) on the basis of growth inhibition effect was estimated to be 27.809 mg/L.
Moreover, a test was developed by Sako,F. et al. (Toxicol. Appl. Pharmacol.39:111-117,1977)using Paramecium caudatum (Ciliate) in order to determine the toxicity of disodium 6-hydroxy-5-[(4-sulphonatophenyl)azo]naphthalene -2-sulphonate (CAS No.- 2783-94-0). Paramecium caudatum was exposed for 0.012 days. The concentration of the chemical, at which time to 50% mortality of Paramecium caudatum observed (LT50), was determined. The median lethal time (LT50) of disodium 6-hydroxy-5-[(4-sulphonatophenyl)azo] naphthalene-2- sulphonate (CAS No.- 2783-94-0) in microorganism (Paramecium caudatum (Ciliate)) in a 0.012 days study on the basis of mortality effect was observed to be 1000.0 mg/L.
Thus, based on the above predicted and experimental studies for target substance disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino] -1,3,5-triazin- 2-yl]amino]benzenesulphonate(CAS No. 84000-63-5) and to its read across substance disodium 6-hydroxy-5-[(4-sulphonatophenyl)azo] naphthalene-2- sulp honate (CAS No.- 2783-94-0), the inhibition growth concentration (IGC50) value was found to be 27.809 mg/L and LT50 value to be 1000.0 mg/L on the basis of various effects (growth inhibition and mortality effect) in a 0.012 days to 48 hours of exposure.
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