Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Chloro-3-fluorophenylacetonitrile |
EINECS | N/A |
CAS No. | 251570-03-3 | Density | 1.287 g/cm3 |
PSA | 23.79000 | LogP | 2.54518 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H5ClFN | Boiling Point | 253.425 °C at 760 mmHg |
Molecular Weight | 169.586 | Flash Point | 107.068 °C |
Transport Information | UN 3276 | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
(4-Chloro-3-fluorophenyl)acetonitrile;4-Chloro-3-fluorophenylacetonitrile;3-Fluoro-4-chlorobenzyl cyanide;3-Fluoro-4-Chlorophenylacetonitrile3-Fluoro-4-Chlorobenzyl Cyanide; |
Article Data | 6 |
The Benzeneacetonitrile,4-chloro-3-fluoro-, with the CAS registry number 251570-03-3, is also known as 4-Chloro-3-fluorobenzyl cyanide. It belongs to the product category of Nitrile. This chemical's molecular formula is C8H5ClFN and molecular weight is 169.58. What's more, its IUPAC name is called 2-(4-chloro-3-fluorophenyl)acetonitrile.
Physical properties of Benzeneacetonitrile,4-chloro-3-fluoro- are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 23.79 Å2; (7)Index of Refraction: 1.528; (8)Molar Refractivity: 40.6 cm3; (9)Molar Volume: 131.7 cm3; (10)Surface Tension: 41.8 dyne/cm; (11)Density: 1.286 g/cm3; (12)Flash Point: 107.1 °C; (13) Enthalpy of Vaporization: 49.08 kJ/mol; (14)Boiling Point: 253.4 °C at 760 mmHg; (15)Vapour Pressure: 0.0183 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It is Irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC(=C(C=C1CC#N)F)Cl
(2)InChI: InChI=1S/C8H5ClFN/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
(3)InChIKey: IDBYHCGSWMSFLY-UHFFFAOYSA-N