4-Chloro-3-methylbenzonitrile supplier

Name
4-CHLORO-3-METHYLBENZONITRILE
EINECS
CAS No. 4387-31-9
Article Data3
CAS DataBase
Density 1.19 g/cm³
Solubility
Melting Point
Formula C₈H₆ClN
Boiling Point 243.5 °C at 760 mmHg
Molecular Weight 151.595
Flash Point 99.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms m-Tolunitrile,4-chloro- (7CI,8CI);
PSA 23.79000
LogP 2.52008

4-Chloro-3-methylbenzonitrile Specification

The Benzonitrile,4-chloro-3-methyl- with the CAS number 4387-31-9 is also called m-Tolunitrile,4-chloro- (7CI,8CI). The systematic name is 4-chloro-3-methylbenzonitrile. Its molecular formula is C₈H₆ClN. This chemical belongs to the following product categories: (1)Nitrile; (2)Chlorine Compounds; (3)Nitriles.

The properties of the Benzonitrile,4-chloro-3-methyl- are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 23.79 Å²; (7)Index of Refraction: 1.553; (8)Molar Refractivity: 40.77 cm³; (9)Molar Volume: 127.3 cm³; (10)Polarizability: 16.16×10^-24cm³; (11)Surface Tension: 44.2 dyne/cm; (12)Enthalpy of Vaporization: 48.05 kJ/mol; (13)Vapour Pressure: 0.0321 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(C#N)cc1C
(2)InChI: InChI=1/C8H6ClN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3
(3)InChIKey: SQISNVXBYZWWBC-UHFFFAOYAL

Product Name

4-CHLORO-3-METHYLBENZONITRILE

4-Chloro-3-methylbenzonitrile Specification

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