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CAS No.: | 15013-71-5 |
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Name: | 2-CHLORO-3-METHYLBENZONITRILE |
Molecular Structure: | |
Formula: | C8H6ClN |
Molecular Weight: | 151.595 |
Synonyms: | m-Tolunitrile,2-chloro- (8CI);2-Chloro-3-methylbenzonitrile;2-Chloro-m-tolunitrile;2-Cyano-6-methylchlorobenzene; |
Density: | 1.19 g/cm3 |
Boiling Point: | 261.101 °C at 760 mmHg |
Flash Point: | 112.974 °C |
PSA: | 23.79000 |
LogP: | 2.52008 |
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The Benzonitrile,2-chloro-3-methyl- is an organic compound with the formula C8H6ClN. The systematic name of this chemical is 2-Chloro-3-methylbenzonitrile. With the CAS registry number 15013-71-5, it is also named as 2-Cyano-6-methylchlorobenzene. The product's categories are Aromatic Nitriles; Chlorine Compounds. Besides, its molecular weight is 151.59294.
Physical properties about Benzonitrile,2-chloro-3-methyl- are: (1)ACD/LogP: 2.77; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 64; (5)ACD/BCF (pH 7.4): 64; (6)ACD/KOC (pH 5.5): 680; (7)ACD/KOC (pH 7.4): 680; (8)#H bond acceptors: 1; (9)Polar Surface Area: 23.79 Å2; (10)Index of Refraction: 1.553; (11)Molar Refractivity: 40.771 cm3; (12)Molar Volume: 127.355 cm3; (13)Polarizability: 16.163×10-24 cm3; (14)Surface Tension: 44.229 dyne/cm; (15)Density: 1.19 g/cm3; (16)Flash Point: 112.974 °C; (17)Enthalpy of Vaporization: 49.882 kJ/mol; (18)Boiling Point: 261.101 °C at 760 mmHg; (19)Vapour Pressure: 0.012 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H6ClN/c1-6-3-2-4-7(5-10)8(6)9/h2-4H,1H3
(2)InChIKey: RBHUDDGPJRWBTF-UHFFFAOYAS
(3)Std. InChI: InChI=1S/C8H6ClN/c1-6-3-2-4-7(5-10)8(6)9/h2-4H,1H3
(4)Std. InChIKey: RBHUDDGPJRWBTF-UHFFFAOYSA-N