Tartrazine acid
Basic information
- CAS
34175-08-1- Standard SMILES
O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)O)cc1- InChIKey
RFKITWRHKUYMRJ-UHFFFAOYSA-N- Molecular formula
- C16H12N4O9S2
- Average molar mass
- 468.4 g/mol
- Monoisotopic mass
- 468.00457032
Overview
Tartrazine acid is a pyrazoles which is pyrazole-3-carboxylic acid substituted by an oxo group at position 5, a 4-sulfophenyl group at position 1 and (4-sulfophenyl)diazenyl group at position 4. It is a monocarboxylic acid, a member of pyrazoles, an arenesulfonic acid and a monoazo compound. It is a conjugate acid of a tartrazine(3-).
Names & identifiers
- Preferred name
- Tartrazine acid
- IUPAC
- 5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
Names & synonyms
tartrazine acid5-oxo-1-(4-sulfophenyl)-4-[(E)-(4-sulfophenyl)diazenyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acidC.I. 19140UNII-6TP696149NEINECS 251-862-1SCHEMBL839391SCHEMBL839392CHEBI:68629RFKITWRHKUYMRJ-UHFFFAOYSA-N4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-4-((4-sulphophenyl)azo)-1H-pyrazole-3-carboxylic acidNS00124946Q27137057
Show more names
4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[4-sulfophenylazo]-1h-pyrazole-3-carboxylic acid
Database identifiers
- CAS
34175-08-1- PubChem CID
- 62302
- ChEBI
CHEBI:68629- Nikkaji
- J52.373I
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 981
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…