Basic information
- CAS
730-23-4- Standard SMILES
Nc1ccc(N=Nc2cccc([N+](=O)[O-])c2)cc1- InChIKey
MDMDJAOEKAAIGH-UHFFFAOYSA-N- Molecular formula
- C12H10N4O2
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.08037557
Names & identifiers
- Preferred name
- Benzenamine, 4-[2-(3-nitrophenyl)diazenyl]-
- IUPAC
- 4-[(3-nitrophenyl)diazenyl]aniline
- English name
- 4-[(3-nitrophenyl)azo]aniline
- Molecular formula
- C12H10N4O2
- Molecular weight
- 242.23
Names & synonyms
Benzenamine, 4-[(3-nitrophenyl)azo]-EINECS 211-983-2Benzenamine, 4-((3-nitrophenyl)azo)-Benzenamine, 4-(2-(3-nitrophenyl)diazenyl)-Benzenamine, 4-[2-(3-nitrophenyl)diazenyl]-RefChem:561841730-23-44-[(3-nitrophenyl)diazenyl]anilineBenzenamine,4-[2-(3-nitrophenyl)diazenyl]-4-((3-Nitrophenyl)azo)aniline3'-nitro-4-aminoazobenzeneDTXSID2061060
Show more names
4'-Amino-3-nitroazobenzene4-[(3-nitrophenyl)azo]aniline
SCHEMBL11456363SCHEMBL11456364SCHEMBL30681186MDMDJAOEKAAIGH-UHFFFAOYSA-NNS00037467
Database identifiers
- CAS
730-23-4- PubChem CID
- 69770
- DTXSID
DTXSID2061060- EC Number
- 211-983-2
- Nikkaji
- J36.354E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Boiling point
- 442.895 · 442.895±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.343 · 1.343±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.936 · 2.936±0.10(predicted)
- EPA Substance Registry System
- 4 · Benzenamine, 4-[(3-nitrophenyl)azo]- (730-23-4)
- 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 InformationBenzenamine, 4-[2-(3-nitrophenyl)diazenyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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