(2-Chloropyridin-3-yl)acetonitrile supplier

Name
(2-Chloropyridin-3-yl)acetonitrile
EINECS
CAS No. 101012-32-2
Article Data15
CAS DataBase
Density 1.262 g/cm³
Solubility
Melting Point 85-86 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
Formula C₇H₅ClN₂
Boiling Point 294.1 °C at 760 mmHg
Molecular Weight 152.583
Flash Point 131.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloropyridine-3-acetonitrile;
PSA 36.68000
LogP 1.80108

(2-Chloropyridin-3-yl)acetonitrile Specification

The (2-Chloro-pyridin-3-yl)-acetonitrile, with the CAS registry number 101012-32-2, is also known as 2-Chloropyridine-3-acetonitrile. This chemical's molecular formula is C₇H₅ClN₂ and molecular weight is 152.58. What's more, its systematic name is (2-Chloropyridin-3-yl)acetonitrile.

Physical properties about (2-Chloro-pyridin-3-yl)-acetonitrile are: (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^-24 cm³; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 1.262 g/cm³; (19)Flash Point: 131.7 °C; (20)Enthalpy of Vaporization: 53.37 kJ/mol; (21)Boiling Point: 294.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00166 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ncccc1CC#N
(2) InChI: InChI=1/C7H5ClN2/c8-7-6(3-4-9)2-1-5-10-7/h1-2,5H,3H2
(3) InChIKey: DMWOJKQPJYWCCB-UHFFFAOYAA

Product Name

(2-Chloropyridin-3-yl)acetonitrile

(2-Chloropyridin-3-yl)acetonitrile Specification

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