3-Bromo-2-chloro-5-(trifluoromethyl)pyridine

Basic Information

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CAS Number

71701-92-3

Molecular Formula

C6H2BrClF3N

Molecular Weight

260.44 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

Melting Point

28-32 °C

Boiling Point

210.5°C at 760 mmHg

Density

1.805

Refractive Index

1.493

SMILES

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C1=C(C=NC(=C1Br)Cl)C(F)(F)F

InChI

InChI=1S/C6H2BrClF3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H

InChIKey

GVQLMGPWTHAUPV-UHFFFAOYSA-N

LogP

3.5163

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

163

Safety Information

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GHS Hazard Pictograms

H301

H315

H319

H335

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

Synonyms & References

English

Pyridine, 3-bromo-2-chloro-5-(trifluoromethyl)-
AU-004/43501757
2-CHLORO-3-BROMO-5-TRIFLUOROMETHYLPYRIDINE
EN300-94704
CS-W008345
AC-24945
3-bromo-2-chloro-5-(trifluoromethyl)pyridine
SCHEMBL3223184
DTXSID60543185
3-Bromo-2-chloro-5-trifluoromethylpyridine
AKOS005063714
FT-0650003
2-chloro-3-bromo-5-(trifluoromethyl)pyridine
71701-92-3
PS-7366
J-511846
SY012284
3-Bromo-2-chloro-5-(trifluoromethyl)pyridine, 97%
AB53927
A9379
AM20061464
MFCD09878432
BL005538
3-Bromo-2-chloro-5-(trifluoromethyl)pyridine
3-Bromo-2-chloro-5-trifluoromethyl-pyridine

MDL Number

MFCD09878432

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 3-Bromo-2-chloro-5-(trifluoromethyl)pyridine (CAS: 71701-92-3)?

3-Bromo-2-chloro-5-(trifluoromethyl)pyridine is a crystalline solid with a molecular weight of approximately 316.03 g/mol. It has a low water solubility and is moderately soluble in common organic solvents like dichloromethane and acetone. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. It is not flammable but requires appropriate handling in a fume hood to avoid inhalation and skin contact.

How is 3-Bromo-2-chloro-5-(trifluoromethyl)pyridine (CAS: 71701-92-3) typically synthesized?

3-Bromo-2-chloro-5-(trifluoromethyl)pyridine is typically synthesized by bromination of 2-chloro-5-(trifluoromethyl)pyridine using N-bromosuccinimide (NBS) as the brominating agent. The reaction is carried out in an inert solvent like dichloromethane. The yield can be enhanced by using a radical initiator and controlling the reaction temperature and time to achieve high selectivity.

What industries use 3-Bromo-2-chloro-5-(trifluoromethyl)pyridine (CAS: 71701-92-3)?

3-Bromo-2-chloro-5-(trifluoromethyl)pyridine is used in various industries, particularly in the pharmaceutical sector for the synthesis of complex organic molecules. It also finds applications in the development of sensors and as a precursor in the semiconductor industry for the production of electronic materials.

What precautions should be taken when handling 3-Bromo-2-chloro-5-(trifluoromethyl)pyridine (CAS: 71701-92-3)?

When handling 3-Bromo-2-chloro-5-(trifluoromethyl)pyridine, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to prevent inhalation. In case of spills, immediately clean up with appropriate absorbents and follow the guidelines in the Safety Data Sheet (SDS) for disposal.