2,6-Dichloro-4-(trifluoromethyl)pyridine

Basic Information

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CAS Number

39890-98-7

Molecular Formula

C6H2Cl2F3N

Molecular Weight

215.99 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Boiling Point

56-57 °C/10 mmHg

Refractive Index

n20/D 1.473

SMILES

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C1=C(C=C(N=C1Cl)Cl)C(F)(F)F

InChI

InChI=1S/C6H2Cl2F3N/c7-4-1-3(6(9,10)11)2-5(8)12-4/h1-2H

InChIKey

KVNQWVYYVLCZKK-UHFFFAOYSA-N

LogP

3.4072000000000005

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

151

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Sensitive to air

Synonyms & References

English

2,6-dichloro-4-trifluoromethyl-pyridine
PB47380
AKOS005063344
MFCD00042246
SCHEMBL561772
PS-7933
2,6-Dichloro-4-(trifluoromethyl)pyridine, 97%
A6658
SY022759
AC-24506
4-trifluoromethyl-2,6-dichloropyridine
D4684
FT-0610588
2,6-dichloro-4-(trifluoromethyl)pyridine
DTXSID60334510
CS-W007641
AM20061726
EN300-133330
2,6-Dichloro-4-trifluoromethylpyridine
Pyridine, 2,6-dichloro-4-(trifluoromethyl)-
39890-98-7
2,6-dichloro-4-(trifluoromethylpyridine)
J-507429
2,6-Dichloro-4-(trifluoromethyl)pyridine
2,6-Dichloro-4-(trifluoromethylpyridine)
KVNQWVYYVLCZKK-UHFFFAOYSA-N
SBB055518
BBL101847
STL555644
TRA0074264
EF10164

MDL Number

MFCD00042246

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2,6-Dichloro-4-(trifluoromethyl)pyridine (CAS: 39890-98-7)?

2,6-Dichloro-4-(trifluoromethyl)pyridine is a crystalline solid with a molecular weight of approximately 273.05 g/mol. It has low water solubility and moderate solubility in common organic solvents. This compound is highly reactive due to its electron-withdrawing groups, making it prone to nucleophilic substitution reactions. It is also a potent inhibitor of certain enzymes and is used in medicinal chemistry.

How is 2,6-Dichloro-4-(trifluoromethyl)pyridine (CAS: 39890-98-7) typically synthesized?

2,6-Dichloro-4-(trifluoromethyl)pyridine is typically synthesized via the Friedel-Crafts alkylation of 2-chloro-4-(trifluoromethyl)pyridine with chloroform in the presence of aluminum chloride as a catalyst. This method provides good selectivity and yield, though appropriate handling of the reagents is required due to the toxicity and reactivity of the starting materials.

What industries use 2,6-Dichloro-4-(trifluoromethyl)pyridine (CAS: 39890-98-7)?

2,6-Dichloro-4-(trifluoromethyl)pyridine is used primarily in the pharmaceutical industry as an intermediate for the synthesis of various biologically active compounds. It is also utilized in the polymer industry for the development of new materials with specific properties. Additionally, it finds applications in the production of sensors and as a reagent in medicinal chemistry.

What precautions should be taken when handling 2,6-Dichloro-4-(trifluoromethyl)pyridine (CAS: 39890-98-7)?

Handling 2,6-Dichloro-4-(trifluoromethyl)pyridine requires strict safety measures due to its potential health hazards and reactivity. Wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated fume hood to minimize exposure. Spills should be dealt with using appropriate absorbent materials and the incident should be reported to the safety officer. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.