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EC number: 268-519-7 | CAS number: 68110-30-5
- 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
Endpoint summary
Administrative data
Key value for chemical safety assessment
Genetic toxicity in vitro
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 five closest read across substances, gene mutation was predicted for 1,5-Naphthalenedisulfonic acid, 2,2'-[(2,2'-disulfo[1,1'-biphenyl] -4,4'-diyl) bis [imino (6-chloro-1,3,5-triazine-4,2-diyl)imino (1-hydroxy-3-sulfo-6,2-naphthalenediyl) azo]]bis-, octasodium salt. The study assumed the use of Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 with S9 metabolic activation system. 1,5-Naphthalenedisulfonic acid, 2,2'-[(2,2'-disulfo [1,1'-biphenyl]-4,4'-diyl)bis[imino (6-chloro-1,3,5-triazine-4,2-diyl)imino (1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo]]bis-, octasodium salt was predicted to not induce gene mutation in Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 in the presence of S9 metabolic activation system and hence, according to the prediction made, it is not likely to classify as a gene mutant in vitro.
Based on the predicted result it can be concluded that the substance is considered to be not toxic as per the criteria mentioned in CLP regulation.
Link to relevant study records
- Endpoint:
- in vitro gene mutation study in bacteria
- Remarks:
- Type of genotoxicity: gene mutation
- 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 the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Refre below principle
- Principles of method if other than guideline:
- Prediction is done using OECD QSAR Toolbox version 3.3, 2018
- GLP compliance:
- not specified
- Type of assay:
- bacterial reverse mutation assay
- Specific details on test material used for the study:
- Name of the test chemical: Octasodium 2,2'-[(2,2'-disulphonato[1,1'-biphenyl]-4,4'-diyl)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino (1-hydroxy-3-sulphonatonaphthalene-6,2-diyl)azo]]bisnaphthalene-1,5-disulphonate
Molecular formula: C58H30Cl2N14Na8O26S8
Molecular weight: 1850.3 g/mol
Smiles Notation: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].c1(c(cc(cc1)Nc1nc(nc(n1)Cl)Nc1cc2cc(c(c(c2cc1)O)\N=N\c1c(c2cccc(c2cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])c1c(cc(cc1)Nc1nc(nc(n1)Cl)Nc1cc2cc(c(c(c2cc1)O)\N=N\c1c(c2cccc(c2cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]
InChI: 1S/C58H38Cl2N14O26S8.8Na/c59-53-65-55(61-27-7-11-31-25(19-27)21-45(105(89,90)91)47(49(31)75)73-71-39-17-15-35-37(51(39)107(95,96)97)3-1-5-41(35)101(77,78)79)69-57(67-53)63-29-9-13-33(43(23-29)103(83,84)85)34-14-10-30(24-44(34)104(86,87)88)64-58-68-54(60)66-56(70-58)62-28-8-12-32-26(20-28)22-46(106(92,93)94)48(50(32)76)74-72-40-18-16-36-38(52(40)108(98,99)100)4-2-6-42(36)102(80,81)82;;;;;;;;/h1-24,75-76H,(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)(H2,61,63,65,67,69)(H2,62,64,66,68,70);;;;;;;;/q;8*+1/p-8/b73-71+,74-72+;;;;;;;;
Substance Type: Organic
Physical State: Solid - Target gene:
- Histidine
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98, TA 100 and TA 102
- Details on mammalian cell type (if applicable):
- Not applicable
- Additional strain / cell type characteristics:
- not specified
- Cytokinesis block (if used):
- No data
- Metabolic activation:
- with
- Metabolic activation system:
- S9 metabolic actiivation system
- Test concentrations with justification for top dose:
- No data
- Vehicle / solvent:
- No data
- Untreated negative controls:
- not specified
- Negative solvent / vehicle controls:
- not specified
- True negative controls:
- not specified
- Positive controls:
- not specified
- Positive control substance:
- not specified
- Details on test system and experimental conditions:
- No data
- Rationale for test conditions:
- No data
- Evaluation criteria:
- Prediction is done considering a dose dependent increase in the number of revertants/plate
- Statistics:
- No data
- Species / strain:
- S. typhimurium, other: TA 1535, TA 1537, TA 98 and TA 100
- Metabolic activation:
- with
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- not specified
- Vehicle controls validity:
- not specified
- Untreated negative controls validity:
- not specified
- Positive controls validity:
- not specified
- Additional information on results:
- No data
- Remarks on result:
- other: No mutagenic potential
- Conclusions:
- 1,5-Naphthalenedisulfonic acid, 2,2'-[(2,2'-disulfo [1,1'-biphenyl]-4,4'-diyl)bis[imino (6-chloro-1,3,5-triazine-4,2-diyl)imino (1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo]]bis-, octasodium salt was predicted to not induce gene mutation in Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 in the presence of S9 metabolic activation system and hence, according to the prediction made, it is not likely to classify as a gene mutant in vitro.
- 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 five closest read across substances, gene mutation was predicted for 1,5-Naphthalenedisulfonic acid, 2,2'-[(2,2'-disulfo[1,1'-biphenyl] -4,4'-diyl) bis [imino (6-chloro-1,3,5-triazine-4,2-diyl)imino (1-hydroxy-3-sulfo-6,2-naphthalenediyl) azo]]bis-, octasodium salt. The study assumed the use of Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 with S9 metabolic activation system. 1,5-Naphthalenedisulfonic acid, 2,2'-[(2,2'-disulfo [1,1'-biphenyl]-4,4'-diyl)bis[imino (6-chloro-1,3,5-triazine-4,2-diyl)imino (1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo]]bis-, octasodium salt was predicted to not induce gene mutation in Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 in the presence of S9 metabolic activation system and hence, according to the prediction made, it is not likely to classify as a gene mutant in vitro.
Based on the predicted result it can be concluded that the substance is considered to be not toxic as per the criteria mentioned in CLP regulation.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Gene mutation"
Estimation method: Takes highest mode value from the 10 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" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anion OR Aromatic compound OR
Azo compound OR Cation OR Halogen derivative OR Hydroxy compound OR
Phenol OR Sulfonic acid derivative by Organic functional groups, Norbert
Haider (checkmol) ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
OR Aliphatic Nitrogen, one aromatic attach [-N] OR Aliphatic Nitrogen,
two aromatic attach [-N-] OR Amino Triazine/Pyrazine/Pyrimidine OR
Aromatic Carbon [C] OR Aromatic Nitrogen OR Azo [-N=N-] OR Chlorine,
aromatic attach [-Cl] OR Chlorine, olefinic attach [-Cl] OR Hydroxy,
aromatic 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
Sulfonate, aromatic attach [-SO2-O] OR Sym-Triazine ring by Organic
functional groups (US EPA) ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aromatic amine OR Aromatic
heterocyclic halide OR Aryl OR Aryl halide OR Azo OR Biphenyl OR Fused
carbocyclic aromatic OR Overlapping groups OR Phenol OR Sulfonic acid by
Organic Functional groups (nested) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aromatic amine OR Aromatic
heterocyclic halide OR Aryl OR Aryl halide OR Azo OR Biphenyl OR Fused
carbocyclic aromatic OR Naphtalene OR Phenol OR Sulfonic acid OR
Triazine by Organic Functional groups 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 Acylation OR Acylation >> P450
Mediated Activation to Isocyanates or Isothiocyanates OR Acylation >>
P450 Mediated Activation to Isocyanates or Isothiocyanates >> Formamides
OR 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 >> 5-alkoxyindoles 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 Michael addition >> P450
Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic
(PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition OR
Michael addition >> Polarised Alkenes-Michael addition OR Michael
addition >> Polarised Alkenes-Michael addition >> Alpha, beta-
unsaturated ketones OR Michael addition >> Quinones and Quinone-type
Chemicals OR Michael addition >> Quinones and Quinone-type Chemicals >>
Quinones OR Schiff base formers OR Schiff base formers >> Direct Acting
Schiff Base Formers OR Schiff base formers >> Direct Acting Schiff Base
Formers >> Alpha-beta-dicarbonyl OR SN1 OR SN1 >> Carbenium Ion
Formation OR SN1 >> Carbenium Ion Formation >> Allyl benzenes OR SN1 >>
Carbenium Ion Formation >> Hydrazine OR SN1 >> Carbenium Ion Formation
>> N-Nitroso (alkylation) OR SN1 >> Carbenium Ion Formation >>
Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1 OR
SN1 >> Carbenium Ion Formation >> Triazenes OR SN1 >> Iminium Ion
Formation OR SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines
OR SN1 >> Nitrenium Ion formation OR SN1 >> Nitrenium Ion formation >>
Aromatic azo OR SN1 >> Nitrenium Ion formation >> Aromatic nitro OR SN1
>> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine
OR SN1 >> Nitrenium Ion formation >> Primary aromatic amine OR SN1 >>
Nitrenium Ion formation >> Secondary aromatic amine OR SN1 >> Nitrenium
Ion formation >> Tertiary aromatic amine OR SN1 >> Nitrenium Ion
formation >> Unsaturated heterocyclic nitro OR SN1 >> Nitrosation-SN1 OR
SN1 >> Nitrosation-SN1 >> N-Nitroso-SN1 OR SN2 OR SN2 >> Direct Acting
Epoxides and related OR SN2 >> Direct Acting Epoxides and related >>
Aziridines OR SN2 >> Direct Acting Epoxides and related >> Epoxides OR
SN2 >> Epoxidation of Aliphatic Alkenes OR SN2 >> Epoxidation of
Aliphatic Alkenes >> Halogenated polarised alkenes OR SN2 >>
Nitrosation-SN2 OR SN2 >> Nitrosation-SN2 >> Nitroso-SN2 OR SN2 >> SN2
at an sp3 Carbon atom OR SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates
by DNA binding by OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Non binder, MW>500 by Estrogen
Receptor Binding
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Moderate binder, NH2 group OR
Moderate binder, OH grooup OR Non binder, impaired OH or NH2 group OR
Non binder, non cyclic structure OR Non binder, without OH or NH2 group
OR Strong binder, OH group OR Very strong binder, OH group OR Weak
binder, OH group by Estrogen Receptor Binding
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of log BCF max which is >= 0.961
log(L/kg wet)
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log BCF max which is <= 1.85
log(L/kg wet)
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Genetic toxicity in vivo
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Gene mutation in vitro:
Prediction model based estimation for the target chemical and data from read across chemicals have been reviewed to determine the mutagenic nature of. The studies are as mentioned below:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, gene mutation was predicted for 1,5-Naphthalenedisulfonic acid, 2,2'-[(2,2'-disulfo[1,1'-biphenyl] -4,4'-diyl) bis [imino (6-chloro-1,3,5-triazine-4,2-diyl)imino (1-hydroxy-3-sulfo-6,2-naphthalenediyl) azo]]bis-, octasodium salt. The study assumed the use of Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 with and without S9 metabolic activation system. 1,5-Naphthalenedisulfonic acid, 2,2'-[(2,2'-disulfo [1,1'-biphenyl]-4,4'-diyl)bis[imino (6-chloro-1,3,5-triazine-4,2-diyl)imino (1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo]]bis-, octasodium salt was predicted to not induce gene mutation in Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 in the presence and absence of S9 metabolic activation system and hence, according to the prediction made, it is not likely to classify as a gene mutant in vitro.
The above mentioned predicted data is further supported by the data from read across chemicals as mentioned below:
In a study by Gregory et al (Journal of Applied Toxicology, 1981), gene mutation toxicity study was performed for 50 -60% structurally and functionally similar read across chemical Acid red 97 (RA CAS no 10169 -02 -5) to evaluate its mutagenic nature. The study was performed as per the standard plate incorporation protocol using Salmonella typhimurium strain TA100 and TA98 both in the presence and absence of S9 metabolic activation system. The plates were incubated for 72 hrs before the evaluation of the revertant colonies could be made. Acid red 97 did not induce gene mutation in the Salmonella typhimurium strain TA100 and TA98 both in the presence and absence of S9 metabolic activation system and hence the chemical is not likely to classify as a gene mutant in vitro.
In another study by Venturini and Tamaro (Mutation Research, 23211 -47 -4), Bacterial gene mutation test was performed to evaluate the mutagenic response for the functionally similar read across chemical Red H3B (C.I. reactive red 3; RA CAS no 23211 -47 -4). The test was performed using Salmonella typhimurium strainsTA1535, TA100, TA1538, and TA98 in the presence and absence of S9 metabolic activation system. The test compound was dissolved in DMSO and used at dose levels of 100, 500 or 1000 µg/plate. Concurrent positive control chemicals were also included in the study. Red H3B (C.I. reactive red 3)did not induce reversion of mutation when applied to Salmonella typhimurium strainsTA1535, TA100, TA1538, and TA98 in the presence and absence of S9 metabolic activation system and hence it is not likely to classify as a gene mutant in vitro.
Based on the data available for the target chemical and its read across, 1,5-Naphthalenedisulfonic acid, 2,2'-[(2,2'-disulfo[1,1'-biphenyl] -4,4'-diyl) bis [imino (6-chloro-1,3,5-triazine-4,2-diyl)imino (1-hydroxy-3-sulfo-6,2-naphthalenediyl) azo]]bis-, octasodium salt does not exhibit gene mutation in vitro. Hence the test chemical is not likelt to classify as a gene mutant as per the criteria mentioned in CLP regulation.
Justification for classification or non-classification
Based on the data available for the target chemical and its read across, 1,5-Naphthalenedisulfonic acid, 2,2'-[(2,2'-disulfo[1,1'-biphenyl] -4,4'-diyl) bis [imino (6-chloro-1,3,5-triazine-4,2-diyl)imino (1-hydroxy-3-sulfo-6,2-naphthalenediyl) azo]]bis-, octasodium salt (CAS no 68110 -30 -5) does not exhibit gene mutation in vitro. Hence the test chemical is not likelt to classify as a gene mutant as per the criteria mentioned in CLP regulation.
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