Basic information
- CAS
1716-22-9- Standard SMILES
O=[N+]([O-])c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc3c2O)c([N+](=O)[O-])c1- InChIKey
AYCFJUKXFTYTGH-UHFFFAOYSA-N- Molecular formula
- C16H10N4O11S2
- Average molar mass
- 498.4 g/mol
- Monoisotopic mass
- 497.97874949
Names & identifiers
- Preferred name
- Phenaphthazine
- IUPAC
- 3-[(2,4-dinitrophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
- English name
- nitrazine yellow
- Molecular formula
- C16H10N4O11S2
- Molecular weight
- 498.4
Names & synonyms
PhenaphthazineDNPNS1716-22-9USH6E4Z2F72,7-NAPHTHALENEDISULFONIC ACID, 3-(2-(2,4-DINITROPHENYL)DIAZENYL)-4-HYDROXY-2,7-Naphthalenedisulfonic acid, 3-[2-(2,4-dinitrophenyl)diazenyl]-4-hydroxy-NCI-9360UNII-USH6E4Z2F7SCHEMBL222615PHENAPHTHAZINE FREE ACIDSCHEMBL1554804SCHEMBL3962052
Show more names
CHEMBL21107122-((2,4-Dinitrophenyl)azo)-1-naphthol 3,6-disulfonic acidDTXSID9010377083,6-Naphthalenedisulfonic acid, 2-((2,4-dinitrophenyl)azo)-1-hydroxy2-((2,4-Dinitrophenyl)azo)-1-naphthol 3,6-disulfonic acid disodium saltQ70413832-(2,4-dinitrophenylazo)-1-naphthol-3,6-disulfonic acid1-HYDROXY-2-(2,4-DINITROPHENYLAZO)-3,6-NAPHTHALENEDISULFONIC ACID
Database identifiers
- CAS
1716-22-9- PubChem CID
- 79466
- DTXSID
DTXSID901037708- ChEMBL
CHEMBL2110712- UNII
- USH6E4Z2F7
- Nikkaji
- J378.703F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 262 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 995
Physicochemical properties
- Density
- 1.94 · 1.94±0.1 g/cm3(Predicted)
- pka
- -0.81 · -0.81±0.40(Predicted)
- FDA UNII
- 6 E4Z2F7 · USH6E4Z2F7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…