3-(4-CHLOROPHENYL)PROPIONITRILE

The CAS register number of Benzenepropanenitrile,4-chloro- is 32327-71-2. It also can be called as 1-Cyano-2-(4-chlorophenyl)ethane and the systematic name about this chemical is 3-(4-chlorophenyl)propanenitrile. The molecular formula about this chemical is C₉H₈ClN and the molecular weight is 165.62.

Physical properties about Benzenepropanenitrile,4-chloro- are: (1)ACD/LogP: 2.31; (2)ACD/LogD (pH 5.5): 2.31; (3)ACD/LogD (pH 7.4): 2.31; (4)ACD/BCF (pH 5.5): 33.78; (5)ACD/BCF (pH 7.4): 33.78; (6)ACD/KOC (pH 5.5): 432.38; (7)ACD/KOC (pH 7.4): 432.38; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 23.79Ų; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 45.24 cm³; (13)Molar Volume: 144 cm³; (14)Polarizability: 17.93x10^-24cm³; (15)Surface Tension: 42.4 dyne/cm; (16)Flash Point: 130.2 °C; (17)Enthalpy of Vaporization: 53.61 kJ/mol; (18)Boiling Point: 296.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00144 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)CCC#N
(2)InChI: InChI=1/C9H8ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2H2
(3)InChIKey: PVNUPDOGDDNZBB-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H8ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2H2
(5)Std. InChIKey: PVNUPDOGDDNZBB-UHFFFAOYSA-N