Basic information
- CAS
70776-20-4- Standard SMILES
CN(c1ccc(N=Nc2ccc(C=Cc3ccc([N+](=O)[O-])cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)cc1)c1nc(Cl)nc(Cl)n1.[Na+].[Na+]- InChIKey
UCQHHUBYKRBNNZ-UHFFFAOYSA-L- Molecular formula
- C24H15Cl2N7Na2O8S2
- Average molar mass
- 710.4 g/mol
- Monoisotopic mass
- 708.9595968
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 5-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]phenyl]azo]-2-[2-(4-nitro-2-sulfophenyl)ethenyl]-, disodium salt
- IUPAC
- disodium;5-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]phenyl]diazenyl]-2-[2-(4-nitro-2-sulfonatophenyl)ethenyl]benzenesulfonate
Names & synonyms
70776-20-4Benzenesulfonic acid, 5-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]phenyl]azo]-2-[2-(4-nitro-2-sulfophenyl)ethenyl]-, disodium saltDTXSID60890085UCQHHUBYKRBNNZ-UHFFFAOYSA-LBenzenesulfonic acid, 5-[2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]phenyl]diazenyl]-2-[2-(4-nitro-2-sulfophenyl)ethenyl]-, sodium salt (1:2)Disodium 2-{2-[4-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)(methyl)amino]phenyl}diazenyl)-2-sulfonatophenyl]ethen-1-yl}-5-nitrobenzene-1-sulfonate
Database identifiers
- CAS
70776-20-4- PubChem CID
- 172602
- DTXSID
DTXSID60890085- EC Number
- 274-868-6
Properties
Computed structural properties
- Topological polar surface area
- 244 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,200
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Benzenesulfonic acid, 5-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]phenyl]azo]-2-[2-(4-nitro-2-sulfophenyl)ethenyl]-, disodium salt
Benzenesulfonic acid, 5-4-(4,6-dichloro-1,3,5-triazin-2-yl)methylaminophenylazo-2-2-(4-nitro-2-sulfophenyl)ethenyl-, disodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Benzenesulfonic acid, 5-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]phenyl]azo]-2-[2-(4-nitro-2-sulfophenyl)ethenyl]-, disodium salt: Human health tier I assessment
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 5-[2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]phenyl]diazenyl]-2-[2-(4-nitro-2-sulfophenyl)ethenyl]-, sodium salt (1:2): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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