Basic information
- CAS
22036-97-1- Standard SMILES
COc1ccccc1N=Nc1cc(S(=O)(=O)O)c2ccccc2c1O- InChIKey
JRLHFEXLBNGRJO-UHFFFAOYSA-N- Molecular formula
- C17H14N2O5S
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.06234272
Overview
4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid is a naphthalenesulfonic acid that is naphthalene-1-sulfonic acid carrying additional hydroxy and (2-methoxyphenyl)diazenyl substituents at positions 4 and 3 respectively. The sodium salt is the biological stain 'acid red 4'. It is a member of azobenzenes, a member of naphthols, an aromatic ether and a naphthalenesulfonic acid. It is a conjugate acid of a 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonate.
Names & identifiers
- Preferred name
- 4-Hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid
- IUPAC
- 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid
Names & synonyms
4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acidAcid red 4 free acidXXR35M8AGDSCHEMBL110002SCHEMBL334052acid red 4 (free acid form)SCHEMBL29566193CHEBI:87098Q271593681-Naphthalenesulfonic acid, 4-hydroxy-3-[2-(2-methoxyphenyl)diazenyl]-4-Hydroxy-3-[2-(2-methoxyphenyl)diazenyl]-1-naphthalenesulfonic acid22036-97-1
Database identifiers
- CAS
22036-97-1- PubChem CID
- 22137
- ChEBI
CHEBI:87098- UNII
- XXR35M8AGD
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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