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

Basic Information

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CAS Number

956104-42-0

Molecular Formula

C6H2BrF3N2O2

Molecular Weight

270.99 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

256 ºC

Density

1.879

Flash Point

109 ºC

SMILES

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C1=C(C=NC(=C1C(F)(F)F)Br)[N+](=O)[O-]

InChI

InChI=1S/C6H2BrF3N2O2/c7-5-4(6(8,9)10)1-3(2-11-5)12(13)14/h1-2H

InChIKey

WHTGDIMWBUVWJS-UHFFFAOYSA-N

LogP

3.29430

Complexity

230

Safety Information

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Hazard Statement

H302 Harmful 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

Synonyms & References

English

2-Bromo-5-nitro-3-(trifluoromethyl)pyridine
W9760
WHTGDIMWBUVWJS-UHFFFAOYSA-N
BCP13547
FCH1357412
PC48587
AX8224887
ST24022080
2-Bromo-5-nitro-3-(trifluoromethyl)pyridine (ACI)
DS-1652
956104-42-0
AC-22849
SY067382
DTXSID20704891
SCHEMBL909398
MFCD17169962
CS-W008873
AKOS015919553

MDL Number

MFCD17169962

FAQ

What are the physical and chemical properties of 2-Bromo-5-nitro-3-(trifluoromethyl)pyridine (CAS: 956104-42-0)?

2-Bromo-5-nitro-3-(trifluoromethyl)pyridine (CAS: 956104-42-0) is a crystalline solid with a molecular weight of approximately 318.03 g/mol. It is slightly soluble in water but more soluble in organic solvents like dichloromethane and acetonitrile. This compound is known for its high reactivity, particularly towards nucleophiles and reducing agents.

How is 2-Bromo-5-nitro-3-(trifluoromethyl)pyridine (CAS: 956104-42-0) typically synthesized?

2-Bromo-5-nitro-3-(trifluoromethyl)pyridine is typically synthesized through bromination of 5-nitro-3-(trifluoromethyl)pyridine followed by the introduction of a bromine atom. Commonly used reagents include N-bromosuccinimide (NBS) in the presence of a radical initiator like AIBN. The synthesis involves multiple steps and requires careful control of reaction conditions to achieve high yields.

What industries use 2-Bromo-5-nitro-3-(trifluoromethyl)pyridine (CAS: 956104-42-0)?

2-Bromo-5-nitro-3-(trifluoromethyl)pyridine (CAS: 956104-42-0) is primarily used in the pharmaceutical industry for the synthesis of various drug intermediates. It also finds applications in the field of organic chemistry as a building block for complex molecule synthesis and in the development of new materials for electronic devices.

What precautions should be taken when handling 2-Bromo-5-nitro-3-(trifluoromethyl)pyridine (CAS: 956104-42-0)?

When handling 2-Bromo-5-nitro-3-(trifluoromethyl)pyridine (CAS: 956104-42-0), it is crucial to use proper personal protective equipment (PPE) including gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and oxidizing agents. It should be handled in a well-ventilated area or a fume hood due to its potential to release toxic fumes. In case of a spill, immediately clean up with appropriate absorbents and consult the Safety Data Sheet (SDS) for detailed instructions.