Benzenesulfonic acid, 4-[4,5-dihydro-4-[2-(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1)
Basic information
- CAS
61931-83-7- Standard SMILES
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1N=Nc1cc(C)cc([N+](=O)[O-])c1O.[Na+]- InChIKey
OJGQFVLZBNVKPQ-UHFFFAOYSA-M- Molecular formula
- C17H14N5NaO7S
- Average molar mass
- 455.4 g/mol
- Monoisotopic mass
- 455.05116326
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-[4,5-dihydro-4-[2-(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1)
- IUPAC
- sodium 4-[4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
Names & synonyms
61931-83-7EINECS 263-340-0DTXSID30886470Benzenesulfonic acid, 4-(4,5-dihydro-4-(2-(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:1)Benzenesulfonic acid, 4-[4,5-dihydro-4-[2-(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1)RefChem:117970DTXCID401025794C.I. Mordant red 94Benzenesulfonic acid, 4-(4,5-dihydro-4-((2-hydroxy-5-methyl-3-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, monosodium saltSodium;4-[4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonateBenzenesulfonic acid, 4-[4,5-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, monosodium saltorb2566705
Show more names
DB-298975NS00055699T85977Sodium 4-{4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonateSodium p-(4,5-dihydro-4-((2-hydroxy-5-methyl-3-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonateSodium p-[4,5-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-3-methyl-5-oxo-1h-pyrazol-1-yl ]benzenesulphonate
Properties
Computed structural properties
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 828
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, 4-[4,5-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, monosodium salt
Benzenesulfonic acid, 4-4,5-dihydro-4-(2-hydroxy-5-methyl-3-nitrophenyl)azo-3-methyl-5-oxo-1H-pyrazol-1-yl-, monosodium 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 InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-[4,5-dihydro-4-[2-(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1): INACTIVE
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