Basic Information | Post buying leads | Suppliers |
Name |
2-Chloro-5-fluorophenylacetonitrile |
EINECS | N/A |
CAS No. | 395675-23-7 | Density | 1.286 g/cm3 |
PSA | 23.79000 | LogP | 2.54518 |
Solubility | N/A | Melting Point |
58-59 °C |
Formula | C8H5ClFN | Boiling Point | 249.8 °C at 760 mmHg |
Molecular Weight | 169.586 | Flash Point | 104.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(2-Chloro-5-fluorophenyl)acetonitrile; |
The CAS register number of 2-Chloro-5-fluorophenylacetonitrile is 395675-23-7. It also can be called as 2-Chloro-5-Fluorobenzyl Cyanide and the IUPAC name about this chemical is 2-(2-chloro-5-fluorophenyl)acetonitrile. The molecular formula about this chemical is C8H5ClFN and the molecular weight is 169.58. It belongs to the Nitrile.
Physical properties about 2-Chloro-5-fluorophenylacetonitrile are: (1)ACD/LogP: 2.05; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 23.79Å2; (5)Index of Refraction: 1.528; (6)Molar Refractivity: 40.6 cm3; (7)Molar Volume: 131.7 cm3; (8)Polarizability: 16.09x10-24cm3; (9)Surface Tension: 41.8 dyne/cm; (10)Flash Point: 104.9 °C; (11)Enthalpy of Vaporization: 48.7 kJ/mol; (12)Boiling Point: 249.8 °C at 760 mmHg; (13)Vapour Pressure: 0.0225 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(F)cc1CC#N
(2)InChI: InChI=1/C8H5ClFN/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,5H,3H2
(3)InChIKey: WBXORBHLIYATBL-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H5ClFN/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,5H,3H2
(5)Std. InChIKey: WBXORBHLIYATBL-UHFFFAOYSA-N