Benzeneacetonitrile,2-fluoro-a-oxo- supplier

Name
(2-FLUORO-PHENYL)-OXO-ACETONITRILE
EINECS
CAS No. 80277-41-4
Article Data4
CAS DataBase
Density 1.257 g/cm³
Solubility at 25 deg C (mg/L): 1.876e+004
Melting Point
Formula C₈H₄FNO
Boiling Point 219 °C at 760 mmHg
Molecular Weight 149.124
Flash Point 86.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Fluorobenzoylcyanide;o-Fluorobenzoyl cyanide;
PSA 40.86000
LogP 1.53198

Benzeneacetonitrile,2-fluoro-a-oxo- Specification

The CAS registry number of Benzeneacetonitrile,2-fluoro-a-oxo- is 80277-41-4. The systematic name is (2-fluorophenyl)(oxo)acetonitrile. In addition, the molecular formula is C₈H₄FNO and the molecular weight is 149.12. It belongs to the class of Halide. And it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 5.5): 0.67; (3)ACD/LogD (pH 7.4): 0.67; (4)ACD/BCF (pH 5.5): 1.9; (5)ACD/BCF (pH 7.4): 1.9; (6)ACD/KOC (pH 5.5): 55.09; (7)ACD/KOC (pH 7.4): 55.09; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 40.86 Å²; (11)Index of Refraction: 1.522; (12)Molar Refractivity: 36.18 cm³; (13)Molar Volume: 118.5 cm³; (14)Polarizability: 14.34 ×10^-24cm³; (15)Surface Tension: 45.4 dyne/cm; (16)Density: 1.257 g/cm³; (17)Flash Point: 86.3 °C; (18)Enthalpy of Vaporization: 45.54 kJ/mol; (19)Boiling Point: 219 °C at 760 mmHg; (20)Vapour Pressure: 0.122 mmHg at 25°C.

Preparation of Benzeneacetonitrile,2-fluoro-a-oxo-: it can be prepared by 2-fluoro-benzoyl chloride and trimethyl-silanecarbonitrile. This reaction will need catalyst SnCl₄ and solvent CH₂Cl₂. The reaction time is 2 hours with ambient temperature. The yield is about 87%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C#N)c1ccccc1F
(2)InChI: InChI=1/C8H4FNO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4H
(3)InChIKey: IVSCDQIYFFRLFZ-UHFFFAOYAV

Product Name

(2-FLUORO-PHENYL)-OXO-ACETONITRILE

Benzeneacetonitrile,2-fluoro-a-oxo- Specification

Related Products

Hot Products