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2-Chloro-4-methylbenzonitrile

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Name

2-Chloro-4-methylbenzonitrile

EINECS N/A
CAS No. 21423-84-7 Density 1.19 g/cm3
PSA 23.79000 LogP 2.52008
Solubility N/A Melting Point 51-55 °C
Formula C8H6ClN Boiling Point 269.7 °C at 760 mmHg
Molecular Weight 151.595 Flash Point 119.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 21423-84-7 (2-CHLORO-4-METHYLBENZONITRILE) Hazard Symbols N/A
Synonyms

p-Tolunitrile,2-chloro- (6CI,8CI);2-Chloro-p-tolunitrile;NSC263769;

Article Data 4

2-Chloro-4-methylbenzonitrile Specification

The 2-Chloro-4-methylbenzonitrile is an organic compound with the formula C8H6ClN. The IUPAC name of this chemical is 2-chloro-4-methylbenzonitrile. With the CAS registry number 21423-84-7, it is also named as benzonitrile, 2-chloro-4-methyl-.

Physical properties about 2-Chloro-4-methylbenzonitrile are: (1)ACD/LogP: 2.68; (2)#H bond acceptors: 1; (3)Polar Surface Area: 23.79 Å2; (4)Index of Refraction: 1.553; (5)Molar Refractivity: 40.77 cm3; (6)Molar Volume: 127.3 cm3; (7)Polarizability: 16.16×10-24cm3; (8)Surface Tension: 44.2 dyne/cm; (9)Density: 1.19 g/cm3; (10)Flash Point: 119.3 °C; (11)Enthalpy of Vaporization: 50.78 kJ/mol; (12)Boiling Point: 269.7 °C at 760 mmHg; (13)Vapour Pressure: 0.00716 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1Cl)C
(2)InChI: InChI=1/C8H6ClN/c1-6-2-3-7(5-10)8(9)4-6/h2-4H,1H3
(3)InChIKey: LKWQNMIDLFGETG-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H6ClN/c1-6-2-3-7(5-10)8(9)4-6/h2-4H,1H3
(5)Std. InChIKey: LKWQNMIDLFGETG-UHFFFAOYSA-N

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