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75279-60-6

Basic Information
CAS No.: 75279-60-6
Name: (6-Chloro-pyridin-2-yl)-acetonitrile
Article Data: 4
Molecular Structure:
Molecular Structure of 75279-60-6 ((6-Chloro-pyridin-2-yl)-acetonitrile)
Formula: C7H5ClN2
Molecular Weight: 152.581
Synonyms: (6-chloropyridin-2-yl)acetonitrile;2-pyridineacetonitrile, 6-chloro-;
Density: 1.262 g/cm3
Boiling Point: 270.7 °C at 760 mmHg
Flash Point: 117.5 °C
PSA: 36.68000
LogP: 1.80108
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Specification

The 2-Pyridineacetonitrile,6-chloro-, with the CAS registry number 75279-60-6, has the systematic name of (6-chloropyridin-2-yl)acetonitrile. And the molecular formula of this chemical is C7H5ClN2. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of 2-Pyridineacetonitrile,6-chloro- are as following: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 1.77; (6)ACD/BCF (pH 7.4): 1.77; (7)ACD/KOC (pH 5.5): 52.31; (8)ACD/KOC (pH 7.4): 52.31; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.68 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 38.7 cm3; (15)Molar Volume: 120.8 cm3; (16)Polarizability: 15.34×10-24cm3; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 1.262 g/cm3; (19)Flash Point: 117.5 °C; (20)Enthalpy of Vaporization: 50.89 kJ/mol; (21)Boiling Point: 270.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00675 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(CC#N)n1
(2)InChI: InChI=1/C7H5ClN2/c8-7-3-1-2-6(10-7)4-5-9/h1-3H,4H2
(3)InChIKey: WJMGOQFPVZDUMV-UHFFFAOYAA