Benzenesulfonic acid, 4-(2-(2,4-diamino-5-methylphenyl)diazenyl)-
Basic information
- CAS
17895-40-8- Standard SMILES
Cc1cc(N=Nc2ccc(S(=O)(=O)O)cc2)c(N)cc1N- InChIKey
HKOIFYLIHVRRCI-UHFFFAOYSA-N- Molecular formula
- C13H14N4O3S
- Average molar mass
- 306.34 g/mol
- Monoisotopic mass
- 306.07866149
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-(2-(2,4-diamino-5-methylphenyl)diazenyl)-
- IUPAC
- 4-[(2,4-diamino-5-methylphenyl)diazenyl]benzenesulfonic acid
- English name
- p-[(4,6-diamino-m-tolyl)azo]benzenesulphonic acid
- Molecular formula
- C13H14N4O3S
- Molecular weight
- 306.34
Names & synonyms
Benzenesulfonic acid, 4-[(2,4-diamino-5-methylphenyl)azo]-EINECS 241-838-9Benzenesulfonic acid, 4-((2,4-diamino-5-methylphenyl)azo)-Benzenesulfonic acid, 4-(2-(2,4-diamino-5-methylphenyl)diazenyl)-Benzenesulfonic acid, 4-[2-(2,4-diamino-5-methylphenyl)diazenyl]-RefChem:56440617895-40-82,4-Diamino-5-(p-sulphophenylazo)toluene4-[(2,4-diamino-5-methylphenyl)diazenyl]benzenesulfonic acidp-((4,6-Diamino-m-tolyl)azo)benzenesulphonic acidDTXSID2066278NIOSH/DB5958000
Show more names
p-[(4,6-Diamino-m-tolyl)azo]benzenesulfonic acidp-[(4,6-diamino-m-tolyl)azo]benzenesulphonic acid
SCHEMBL11239206SCHEMBL11239208HKOIFYLIHVRRCI-UHFFFAOYSA-N2,4-Diamino-5-(p-sulfophenylazo)toluolDB59580000NS000258964-(4,6-Diamino-m-tolyl)azobenzenesulfonic acid2,4-Diamino-5-(p-sulfophenylazo)toluol [German]
Database identifiers
- CAS
17895-40-8- PubChem CID
- 82277
- DTXSID
DTXSID2066278- EC Number
- 241-838-9
- Nikkaji
- J62.192G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 468
Physicochemical properties
- Density
- 1.497 · 1.497±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.22 · -1.220±0.50(predicted)
- EPA Substance Registry System
- 4 · Benzenesulfonic acid, 4-[(2,4-diamino-5-methylphenyl)azo]- (17895-40-8)
- 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 InformationBenzenesulfonic acid, 4-[2-(2,4-diamino-5-methylphenyl)diazenyl]-: INACTIVE
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Compound notes
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