Basic information
- CAS
10140-97-3- Standard SMILES
C=C(Cl)c1ccc([N+](=O)[O-])cc1- InChIKey
XTDAYGDHDWTKHX-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO2
- Average molar mass
- 183.59 g/mol
- Monoisotopic mass
- 183.0087061
Names & identifiers
- Preferred name
- 1-(1-Chloroethenyl)-4-nitrobenzene
- IUPAC
- 1-(1-chloroethenyl)-4-nitrobenzene
- English name
- α-Chloro-p-nitrostyrene
- Molecular formula
- C8H6ClNO2
- Molecular weight
- 183.59
Names & synonyms
Styrene, alpha-chloro-p-nitro-1-(1-chloroethenyl)-4-nitrobenzene10140-97-3DTXSID10143912RefChem:1053735DTXCID5066403alpha-Chloro-p-nitrostyrene777RM62EL5BRN 2360211Benzene, 1-(1-chloroethenyl)-4-nitro-0-05-00-00480 (Beilstein Handbook Reference)UNII-777RM62EL5
Show more names
α-Chloro-p-nitrostyrene
SCHEMBL8370241CHLORO-P-NITROSTYRENE, ALPHA1-(1-Chloroethen-1-yl)-4-nitrobenzene
Database identifiers
- CAS
10140-97-3- PubChem CID
- 82402
- DTXSID
DTXSID10143912- UNII
- 777RM62EL5
- Nikkaji
- J48.678G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Melting point
- 63.5 °C · 63.5°C
- Boiling point
- 265.9 · 265.9±15.0 °C(Predicted)
- Density
- 1.3248 · 1.3248 (rough estimate)
- refractive index
- 1.556 · 1.5560 (estimate)
- FDA UNII
- 777 RM62EL5 · 777RM62EL5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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