3-bromo-5-(trifluoromethyl)pyridin-2-ol

Basic Information

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CAS Number

76041-73-1

Molecular Formula

C6H3BrF3NO

Molecular Weight

241.99 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

252.7℃ at 760 mmHg

Flash Point

106.6℃

SMILES

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C1=C(C(=O)NC=C1C(F)(F)F)Br

InChI

InChI=1S/C6H3BrF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)

InChIKey

UWHKLLYQUQPOQK-UHFFFAOYSA-N

LogP

2.5685000000000002

Topological Polar Surface Area

33.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

279

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AB12658
AKOS027475523
3-bromo-5-trifluoromethyl-2(1H)-pyridone
3-Bromo-2-hydroxy-5-trifluoromethylpyridine, AldrichCPR
RB1107
AM62726
3-Bromo-5-trifluoromethyl-2-pyridone
AKOS005255203
FT-0654583
3-Bromo-2-hydroxy-5-trifluoromethylpyridine
3-bromo-5-(trifluoromethyl)pyridin-2-ol
CS-10650
MFCD02691223
DTXSID40542095
3-bromo-5-(trifluoromethyl)pyridin-2(1H)-one
EN300-94705
J-511982
AC-24944
SY007019
A9650
76041-73-1
CS-W006257
CHEMBL4890707
2(1H)-Pyridinone,3-bromo-5-(trifluoromethyl)-;3-Bromo-5-(trifluoromethyl)pyridin-2-ol
3-bromo-5-(trifluoromethyl)-1H-pyridin-2-one
SCHEMBL940808
BCP31444
3-Bromo-2-hydroxy-5-(trifluoromethyl)pyridine
2(1H)-Pyridinone, 3-bromo-5-(trifluoromethyl)-
PS-6854
3-Bromo-5-(trifluoromethyl)pyridin-2-ol

MDL Number

MFCD02691223

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 3-bromo-5-(trifluoromethyl)pyridin-2-ol (CAS: 76041-73-1)?

3-Bromo-5-(trifluoromethyl)pyridin-2-ol (CAS: 76041-73-1) is a crystalline compound with a molecular weight of approximately 253.04 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. The compound is known for its high reactivity, particularly in nucleophilic substitution reactions. Its physical properties include a melting point of around 140-142°C and a boiling point of approximately 320°C. It is a versatile intermediate in organic synthesis.

How is 3-bromo-5-(trifluoromethyl)pyridin-2-ol (CAS: 76041-73-1) typically synthesized?

3-Bromo-5-(trifluoromethyl)pyridin-2-ol (CAS: 76041-73-1) is typically synthesized through a multi-step process involving bromination and fluorination reactions. A common method involves bromination of 5-(trifluoromethyl)pyridine followed by hydroxylation to form the desired compound. The synthesis can be carried out with the use of a Lewis acid catalyst, such as aluminum bromide, and requires careful control of reaction conditions to achieve high selectivity and yield. The process is often optimized using techniques such as column chromatography for purification.

What industries use 3-bromo-5-(trifluoromethyl)pyridin-2-ol (CAS: 76041-73-1)?

3-Bromo-5-(trifluoromethyl)pyridin-2-ol (CAS: 76041-73-1) is used in various industries, including pharmaceuticals, where it serves as a key intermediate for the synthesis of complex molecules. It is also utilized in the production of polymers and sensors due to its unique chemical properties. In the semiconductor industry, it finds application as a chemical vapor deposition (CVD) precursor. Its versatility makes it a valuable compound in materials science and organic chemistry research.

What precautions should be taken when handling 3-bromo-5-(trifluoromethyl)pyridin-2-ol (CAS: 76041-73-1)?

When handling 3-bromo-5-(trifluoromethyl)pyridin-2-ol (CAS: 76041-73-1), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound is corrosive and can cause skin irritation or eye damage. Work should be conducted in a well-ventilated area or under a fume hood to minimize inhalation risks. In case of a spill, immediately clean up using personal protective equipment and follow the safety data sheet (SDS) guidelines for proper disposal. Always refer to the most recent SDS for detailed precautions and emergency response procedures.