-
Name
2-Bromobenzoylacetonitrile
- EINECS
- CAS No. 53882-80-7
- Article Data6
- CAS DataBase
- Density 1.523
- Solubility
- Melting Point
- Formula C9H6 Br N O
- Boiling Point 357.995°C at 760 mmHg
- Molecular Weight 224.057
- Flash Point 170.31°C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Acetonitrile,(o-bromobenzoyl)- (7CI); 2-Bromobenzoylacetonitrile;o-Bromobenzoylacetonitrile; o-Bromophenacyl cyanide
- PSA 40.86000
- LogP 2.54548
2-Bromobenzoylacetonitrile Chemical Properties
Molecular Structure of 2-Bromobenzoylacetonitrile (CAS NO.53882-80-7):
Systematic Name: 3-(2-Bromophenyl)-3-oxopropanenitrile
SMILES: O=C(CC#N)c1ccccc1Br
InChI: InChI=1/C9H6BrNO/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4H,5H2
InChIKey: KETIGQNBJUHYCA-UHFFFAOYAI
Empirical Formula: C9H6BrNO
Molecular Weight: 224.054
Nominal Mass: 223
Average Mass: 224.054
Monoisotopic Mass: 222.963269
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 2
Index of Refraction: 1.574
Molar Refractivity: 48.517 cm3
Molar Volume: 147.038 cm3
Surface Tension: 50.018 dyne/cm
Density: 1.524 g/cm3
Flash Point: 170.31 °C
Enthalpy of Vaporization: 60.343 kJ/mol
Boiling Point: 357.995 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
Mol File: 53882-80-7.mol
2-Bromobenzoylacetonitrile Specification
2-Bromobenzoylacetonitrile (CAS NO.53882-80-7), its Synonyms are Benzenepropanenitrile,2-bromo-b-oxo- ; Acetonitrile,(o-bromobenzoyl)- (7CI) ; o-Bromobenzoylacetonitrile ; o-Bromophenacyl cyanide .
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