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

Basic Information

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CAS Number

1214377-42-0

Molecular Formula

C7H5BrF3NO

Molecular Weight

256.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Boiling Point

208°C at 760 mmHg

SMILES

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COc1ncc(Br)cc1C(F)(F)F

InChI

InChI=1S/C7H5BrF3NO/c1-13-6-5(7(9,10)11)2-4(8)3-12-6/h2-3H,1H3

InChIKey

ZIOFHXRZJCIBCO-UHFFFAOYSA-N

LogP

2.871500000000001

Topological Polar Surface Area

22.12 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

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

5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine
5-bromo-2-methoxy-3-trifluoromethyl-pyridine
QC-4097
5-bromo-2-methoxy-3-trifluoromethylpyridine
5-bromo-2-methoxy-3-(trifluoromethyl)pyridine

MDL Number

MFCD13185815

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine (CAS: 1214377-42-0)?

5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine is a crystalline solid with a molecular weight of approximately 315.03 g/mol. It is slightly soluble in water but readily soluble in organic solvents like ethanol and acetone. This compound is known for its high reactivity due to the presence of bromine, methoxy, and trifluoromethyl groups, making it suitable for various synthetic applications and transformations.

How is 5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine (CAS: 1214377-42-0) typically synthesized?

5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine is usually synthesized via the bromination of 2-methoxy-3-(trifluoromethyl)pyridine with N-bromosuccinimide (NBS) in the presence of a radical initiator like benzoyl peroxide. The reaction yields a mixture that can be purified by recrystallization or column chromatography, with good selectivity and yield under optimized conditions.

What industries use 5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine (CAS: 1214377-42-0)?

5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine finds applications in pharmaceuticals, where it serves as a precursor for various medicinal compounds. It is also used in the synthesis of polymers, sensors, and semiconductor materials for its unique electronic properties and functional groups.

What precautions should be taken when handling 5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine (CAS: 1214377-42-0)?

When handling 5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. In case of spillage, neutralize the spill with a suitable absorbent and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.