3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine

Basic Information

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CAS Number

72537-17-8

Molecular Formula

C6H2ClF4N

Molecular Weight

199.53 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

16-20 °C

Boiling Point

50-55 °C/11 mmHg

Density

1.524 g/mL at 25 °C

Refractive Index

n20/D 1.433(lit.)

SMILES

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C1=C(C=NC(=C1Cl)F)C(F)(F)F

InChI

InChI=1S/C6H2ClF4N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H

InChIKey

GDSROTVTTLUHCO-UHFFFAOYSA-N

LogP

2.8929

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

160

Safety Information

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GHS Hazard Pictograms

H226

H315

H319

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

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 3.2 Class 3.2

Synonyms & References

English

SY033483
A9433
C2671
AKOS006221193
AC-23340
3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine, 98%
MFCD00191918
EN300-91517
DTXSID40361445
72537-17-8
AB04634
FT-0641411
CS-W010502
FS-4057
SCHEMBL805963
3-chloro-2-fluoro-5-(trifluoromethyl)-pyridine
2-fluoro-3-chloro-5-(trifluoromethyl)pyridine
AM87161
BP-12792
3-chloro-2-fluoro-5-trifluoromethylpyridine
3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine
Q-101456
2-Fluoro-3-chloro-5-trifluoromethylpyridine
Pyridine, 3-chloro-2-fluoro-5-(trifluoromethyl)-
GDSROTVTTLUHCO-UHFFFAOYSA-N
SBB054395
TRA0059014
RP25718
NE11367
3-chloro-2-fluoro-5-(trifluoromethyl)pyridine

MDL Number

MFCD00191918

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine (CAS: 72537-17-8)?

3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine (CAS: 72537-17-8) is a crystalline solid with a molecular weight of approximately 319.04 g/mol. It is slightly soluble in water but soluble in common organic solvents like ethanol and acetone. This compound is known for its high reactivity, particularly in nucleophilic substitution reactions. It is a potent Lewis acid and can undergo various chemical transformations with good selectivity.

How is 3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine (CAS: 72537-17-8) typically synthesized?

3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine can be synthesized via the Friedel-Crafts alkylation of 2-fluoro-5-(trifluoromethyl)pyridine with chloroform, catalyzed by aluminum chloride. The reaction is carried out in dichloromethane or another suitable solvent. The yield of the product is typically around 70-80%, and the reaction is carefully controlled to achieve high selectivity and purity.

What industries use 3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine (CAS: 72537-17-8)?

3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine (CAS: 72537-17-8) is primarily used in the pharmaceutical industry for the synthesis of certain medicinal compounds. It also finds applications in the polymer industry for the development of advanced materials, and in the semiconductor industry for the fabrication of electronic components. Additionally, it is used in the sensor technology for specific chemical detection.

What precautions should be taken when handling 3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine (CAS: 72537-17-8)?

When handling 3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine (CAS: 72537-17-8), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Handling should be done in a fume hood to minimize inhalation risks. Spills should be promptly cleaned up using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed spill procedures. This compound is toxic and corrosive, so proper training and safety protocols are essential.