Basic information
- CAS
13432-13-8- Standard SMILES
O=S(=O)(O)c1cc(O)c2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1- InChIKey
IJDLCOIGFNUHAQ-UHFFFAOYSA-N- Molecular formula
- C16H12N2O8S2
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 424.00350769
Overview
4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid is a naphthalenesulfonic acid that is naphthalene-2,7-disulfonic acid carrying two additional hydroxy substituents at positions 4 and 5 as well as a phenyldiazenyl substituent at position 3. The disodium salt is the biological stain 'acid red 29'. It is a member of azobenzenes, a member of naphthalenediols and a naphthalenesulfonic acid. It is a conjugate acid of a 4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate.
Names & identifiers
- Preferred name
- 4,5-Dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid
- IUPAC
- 4,5-dihydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonic acid
- English name
- 3-(Phenylazo)-4,5-dihydroxy-2,7-naphthalenedisulfonic acid
- Molecular formula
- C16H12N2O8S2
- Molecular weight
- 424.41
Names & synonyms
4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acidCHEBI:87108RefChem:106939513432-13-8C.I. 16570SCHEMBL5351115SCHEMBL5351119acid red 29 (free acid form)SCHEMBL22798905DTXSID604255183-(Phenylazo)-4,5-dihydroxy-2,7-naphthalenedisulfonic acid4,5-dihydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonic acid
Show more names
3-Phenylazochromotropic acid2-(Phenylazo)-1,8-dihydroxy-3,6-naphthalenedisulfonic acid
Q271593732,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-phenylazo-4,5-Dihydroxy-3-phenylazo-2,7-naphthalenedisulfonic acid1,8-di-hydroxy-2-(phenylazo)-3,6-naphthalene disulphonic acid4,5-dihydroxy-3-[(E)-phenylazo]naphthalene-2,7-disulfonic acid5-Hydroxy-4-oxo-3-(2-phenylhydrazinylidene)-3,4-dihydronaphthalene-2,7-disulfonic acid
Database identifiers
- CAS
13432-13-8- PubChem CID
- 20173
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 782
Physicochemical properties
- Density
- 1.742 · 1.742±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.269 · -0.269±0.40(predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid is a naphthalenesulfonic acid that is naphthalene-2,7-disulfonic acid carrying two additional hydroxy substituents at positions 4 and 5 as well as a phenyldiazenyl substituent at position 3. The disodium salt is the biological stain 'acid red 29'. It is a member of azobenzenes, a naphthalenesulfonic acid and a member of naphthalenediols. It is a conjugate acid of a 4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate.
Related reactions
0 records
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Compound notes
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