CAS No.35022-42-5,(2-CHLORO-PHENYL)-OXO-ACETONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	35022-42-5
Name:	(2-CHLORO-PHENYL)-OXO-ACETONITRILE
Article Data:	20

Formula:	C₈H₄ClNO
Molecular Weight:	165.579
Synonyms:	Glyoxylonitrile,(o-chlorophenyl)- (6CI,7CI);(o-Chlorophenyl)glyoxylonitrile;2-Chlorobenzoylcyanide;2-Chlorobenzoyl nitrile;(2-chlorophenyl)(oxo)acetonitrile;
Density:	1.311 g/cm³
Boiling Point:	257.7 °C at 760 mmHg
Flash Point:	109.6 °C
PSA:	40.86000
LogP:	2.04628

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Specification

The Benzeneacetonitrile,2-chloro-a-oxo-, with the CAS registry number 35022-42-5, has the systematic name of (2-chlorophenyl)(oxo)acetonitrile. And the molecular formula of this chemical is C₈H₄ClNO. In addition, it should be stored in the dry and cool environment.

The physical properties of Benzeneacetonitrile,2-chloro-a-oxo- are as following: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 4.92; (6)ACD/BCF (pH 7.4): 4.92; (7)ACD/KOC (pH 5.5): 108.81; (8)ACD/KOC (pH 7.4): 108.81; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.86 Å²; (13)Index of Refraction: 1.564 ; (14)Molar Refractivity: 41.08 cm³; (15)Molar Volume: 126.2 cm³; (16)Polarizability: 16.28×10^-24cm³; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.311 g/cm³; (19)Flash Point: 109.6 °C; (20)Enthalpy of Vaporization: 49.52 kJ/mol; (21)Boiling Point: 257.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0143 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C#N)c1ccccc1Cl
(2)InChI: InChI=1/C8H4ClNO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4H
(3)InChIKey: YUCRNASRVPZKNQ-UHFFFAOYAI