CAS No.39890-98-7,2,6-Dichloro-4-(trifluoromethyl)pyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	39890-98-7
Name:	2,6-Dichloro-4-(trifluoromethyl)pyridine
Article Data:	5

Formula:	C₆H₂Cl₂F₃N
Molecular Weight:	215.99
Synonyms:	Pyridine, 2,6-dichloro-4-(trifluoromethyl)-;2,6-Dichloro-4-trifluoromethylpyridine;
EINECS:	201-525-2
Density:	1.542 g/cm³
Boiling Point:	200.1 °C at 760 mmHg
Flash Point:	74.8 °C
Hazard Symbols:	T, F, Xi
Risk Codes:	36/37/38-25
Safety:	26-36/37/39-45
Transport Information:	UN 2810
PSA:	12.89000
LogP:	3.40720

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Specification

The 2,6-Dichloro-4-(trifluoromethyl)pyridine, with the CAS registry number 39890-98-7, is also called Pyridine, 2,6-dichloro-4-(trifluoromethyl)-. It belongs to the following product categories: Pyridines; Chemical Synthesis; Halogenated Heterocycles; Heterocyclic Building BlocksHeterocyclic Building Blocks; New Products for Chemical Synthesis. And the molecular formula of the chemical is C₆H₂Cl₂F₃N.

The characteristics of 2,6-Dichloro-4-(trifluoromethyl)pyridine are as followings: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.04; (4)ACD/LogD (pH 7.4): 3.04; (5)ACD/BCF (pH 5.5): 120.64; (6)ACD/BCF (pH 7.4): 120.64; (7)ACD/KOC (pH 5.5): 1075.36; (8)ACD/KOC (pH 7.4): 1075.36; (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: 1.47; (14)Molar Refractivity: 39.11 cm³; (15)Molar Volume: 140 cm³; (16)Polarizability: 15.5×10^-24cm³; (17)Surface Tension: 30.9 dyne/cm; (18)Density: 1.542 g/cm³; (19)Flash Point: 74.8 °C; (20)Enthalpy of Vaporization: 41.84 kJ/mol; (21)Boiling Point: 200.1 °C at 760 mmHg; (22)Vapour Pressure: 0.468 mmHg at 25°C.

Preparation of 2,6-Dichloro-4-(trifluoromethyl)pyridine: This chemical can be prepared by 4-trifluoromethyl-3H-pyridine-2,6-dione. The reaction will need reagent POCl₃. The reaction time is 10 hours with heating, and the yield is about 30%.

Uses of 2,6-Dichloro-4-(trifluoromethyl)pyridine: It can react with N-Tosyl-3-indolylboronic acid to produce 4-trifluoromethyl-2,6-bis[3'-(N-toluenesulfonylindolyl)]pyridine. This reaction will need reagent Pd(PPh₃)₄and aq. Na₂CO₃, and the menstruum methanol and benzene. And the yield is about 65%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1cc(Cl)nc(Cl)c1
(2)InChI: InChI=1/C6H2Cl2F3N/c7-4-1-3(6(9,10)11)2-5(8)12-4/h1-2H
(3)InChIKey: KVNQWVYYVLCZKK-UHFFFAOYAV