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881891-82-3

Basic Information
CAS No.: 881891-82-3
Name: 2-CHLORO-3-FLUORO-4-METHYLPYRIDINE
Molecular Structure:
Molecular Structure of 881891-82-3 (2-CHLORO-3-FLUORO-4-METHYLPYRIDINE)
Formula: C6H5ClFN
Molecular Weight: 145.564
Synonyms: 2-Chloro-3-fluoro-4-picoline;
EINECS: 145-896-5
Density: 1.264 g/cm3
Boiling Point: 186.4 °C at 760 mmHg
Flash Point: 66.5 °C
PSA: 12.89000
LogP: 2.18250
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Specification

The 2-Chloro-3-fluoro-4-methylpyridine, with its CAS registry number 881891-82-3, has the systematic name of Pyridine, 2-chloro-3-fluoro-4-methyl-. And its product category is including Pyridine.

The characteristics of 2-Chloro-3-fluoro-4-methylpyridine are as follows: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2.01  ; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 12.89 ; (9)Index of Refraction: 1.503; (10)Molar Refractivity: 34.05 cm3; (11)Molar Volume: 115 cm3; (12)Polarizability: 13.5×10-24 cm3; (13)Surface Tension: 36 dyne/cm; (14)Density: 1.264 g/cm3; (15)Flash Point: 66.5 °C; (16)Enthalpy of Vaporization: 40.53 kJ/mol; (17)Boiling Point: 186.4 °C at 760 mmHg; (18)Vapour Pressure: 0.913 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Cc1ccnc(Cl)c1F
(2)InChI:InChI=1/C6H5ClFN/c1-4-2-3-9-6(7)5(4)8/h2-3H,1H3
(3)InChIKey:JQMSTSHOZJFYKE-UHFFFAOYAF