Basic information
- CAS
63400-64-6- Standard SMILES
Nc1ccc(S(=O)(=O)O)c(N=NC2C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C(=O)O)c1- InChIKey
VBYWTDIEYSAZHP-UHFFFAOYSA-N- Molecular formula
- C16H13N5O9S2
- Average molar mass
- 483.4 g/mol
- Monoisotopic mass
- 483.01546936
Names & identifiers
- Preferred name
- 1H-Pyrazole-3-carboxylic acid, 4-(2-(5-amino-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-
- IUPAC
- 4-[(5-amino-2-sulfophenyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
- English name
- 4-[(5-amino-2-sulphophenyl)azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
- Molecular formula
- C16H13N5O9S2
- Molecular weight
- 483.43
Names & synonyms
EINECS 264-128-0DTXSID008857581H-Pyrazole-3-carboxylic acid, 4-((5-amino-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-Pyrazole-3-carboxylic acid, 4-(2-(5-amino-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-Pyrazole-3-carboxylic acid, 4-[(5-amino-2-sulfophenyl)azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-Pyrazole-3-carboxylic acid, 4-[2-(5-amino-2-sulfophenyl)diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-RefChem:439040DTXCID40102512063400-64-64-((5-Amino-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid4-[(5-amino-2-sulphophenyl)azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acidSCHEMBL10350714
Show more names
4-[(5-Amino-2-sulfophenyl)azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
VBYWTDIEYSAZHP-UHFFFAOYSA-NDB-218607NS000550884-[(5-Amino-2-sulfophenyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 246 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 1,020
Physicochemical properties
- EPA Substance Registry System
- 1 H-Pyrazole-3-carboxylic · 1H-Pyrazole-3-carboxylic acid, 4-[(5-amino-2-sulfophenyl)azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)- (63400-64-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Pyrazole-3-carboxylic acid, 4-[2-(5-amino-2-sulfophenyl)diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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