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Benzenepropanenitrile,4-chloro-

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Name

Benzenepropanenitrile,4-chloro-

EINECS N/A
CAS No. 32327-71-2 Density 1.149 g/cm3
PSA 23.79000 LogP 2.79618
Solubility N/A Melting Point 25-27 °C
Formula C9H8ClN Boiling Point 296.4 °C at 760 mmHg
Molecular Weight 165.622 Flash Point 130.2 °C
Transport Information 3276 Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 32327-71-2 (3-(4-CHLOROPHENYL)PROPIONITRILE) Hazard Symbols IrritantXi
Synonyms

Hydrocinnamonitrile,p-chloro- (8CI);1-Cyano-2-(4-chlorophenyl)ethane;3-(4-Chlorophenyl)propionitrile;

Article Data 21

Benzenepropanenitrile,4-chloro- Specification

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: 23.79Å2; (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

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