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CAS No.: | 4377-37-1 |
---|---|
Name: | 2-(trichloromethyl)pyridine |
Article Data: | 6 |
Molecular Structure: | |
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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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