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4377-37-1

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Basic Information
CAS No.: 4377-37-1
Name: 2-(trichloromethyl)pyridine
Article Data: 6
Molecular Structure:
Molecular Structure of 4377-37-1 (2-(trichloromethyl)pyridine)
Formula: C6H4Cl3N
Molecular Weight: 196.463
Synonyms: 2-(Trichloromethyl)pyridine;
Density: 1.466 g/cm3
Melting Point: -10°C
Boiling Point: 232.8 °C at 760 mmHg
Flash Point: 117 °C
PSA: 12.89000
LogP: 2.90830
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Specification

The Pyridine, 2-(trichloromethyl)- has CAS registry number 4377-37-1. This chemical's molecular formula is C6H4Cl3N and molecular weight is 196.46. What's more, its systematic name is 2-(Trichloromethyl)pyridine.

Physical properties about Pyridine, 2-(trichloromethyl)- are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 15.03; (6)ACD/BCF (pH 7.4): 15.03; (7)ACD/KOC (pH 5.5): 242.1; (8)ACD/KOC (pH 7.4): 242.1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 43.38 cm3; (15)Molar Volume: 133.9 cm3; (16)Polarizability: 17.19×10-24 cm3; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.466 g/cm3; (19)Flash Point: 117 °C; (20)Enthalpy of Vaporization: 45.04 kJ/mol; (21)Boiling Point: 232.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0881 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(Cl)(Cl)c1ncccc1
(2) InChI: InChI=1/C6H4Cl3N/c7-6(8,9)5-3-1-2-4-10-5/h1-4H
(3) InChIKey: KAQJMEHRXVENSF-UHFFFAOYAO