4-Chloro-2-fluorophenylacetonitrile supplier

Name
4-Chloro-2-fluorophenylacetonitrile
EINECS
CAS No. 75279-53-7
Article Data5
CAS DataBase
Density 1.286 g/cm³
Solubility
Melting Point 37-41℃
Formula C₈H₅ClFN
Boiling Point 247.9 ºC at 760 mmHg
Molecular Weight 169.586
Flash Point 103.7 ºC
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols T,Xn,C
Synonyms (4-Chloro-2-fluorophenyl)acetonitrile;4-Chloro-2-fluorophenylacetonitrile;2-(4-Chloro-2-fluorophenyl)acetonitrile;2-Fluoro-4-chlorobenzyl cyanide;4-Chloro-2-fluorobenzylcyanide;
PSA 23.79000
LogP 2.54518

4-Chloro-2-fluorophenylacetonitrile Specification

The Benzeneacetonitrile,4-chloro-2-fluoro-, with the CAS registry number 75279-53-7, is also known as 2-(4-Chloro-2-fluorophenyl)acetonitrile. It belongs to Aromatic Nitriles; 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-2-fluorophenyl)acetonitrile.

Physical properties of Benzeneacetonitrile,4-chloro-2-fluoro- are: (1)ACD/LogP: 1.66; (1)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.65; (6)ACD/BCF (pH 7.4): 10.65; (7)ACD/KOC (pH 5.5): 189.27; (8)ACD/KOC (pH 7.4): 189.27; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 40.6 cm³; (15)Molar Volume: 131.7 cm³; (16)Surface Tension: 41.8 dyne/cm; (17)Density: 1.286 g/cm³; (18)Flash Point: 103.7 °C; (19)Enthalpy of Vaporization: 48.5 kJ/mol; (20)Boiling Point: 247.9 °C at 760 mmHg; (21)Vapour Pressure: 0.025 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=C1Cl)F)CC#N
(2)InChI: InChI=1S/C8H5ClFN/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2
(3)InChIKey: RTQOANCZEAIDEZ-UHFFFAOYSA-N

Product Name

4-Chloro-2-fluorophenylacetonitrile

4-Chloro-2-fluorophenylacetonitrile Specification

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