1-(5-Bromo-2-fluoro-3-pyridinyl)ethanone

Basic Information

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CAS Number

1111637-74-1

Molecular Formula

C7H5BrFNO

Molecular Weight

218.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

284.3±40.0 ºC (760 Torr),

Flash Point

125.7±27.3 ºC,

SMILES

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Brc1cnc(c(c1)C(=O)C)F

InChI

InChI=1S/C7H5BrFNO/c1-4(11)6-2-5(8)3-10-7(6)9/h2-3H,1H3

InChIKey

NTEVXGZFBVJCAP-UHFFFAOYSA-N

LogP

2.1857999999999995

Topological Polar Surface Area

29.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

165

Synonyms & References

English

1-(5-Bromo-2-fluoropyridin-3-yl)ethanone
1-(5-bromo-2-fluoro-3-pyridinyl)Ethanone
1-(5-Bromo-2-fluoropyridin-3-yl)ethan-1-one
1-(5-Bromo-2-fluoropyridine-3-yl)ethanone
NTEVXGZFBVJCAP-UHFFFAOYSA-N
PC7516
RW3178
FCH1409007
RP27092
AB65212
3-ACETYL-5-BROMO-2-FLUOROPYRIDIN
1-(5-bromo-2-fluoropyridin-3-yl)ethan-1-one

MDL Number

MFCD12024449

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 1-(5-Bromo-2-fluoro-3-pyridinyl)ethanone (CAS: 1111637-74-1)?

1-(5-Bromo-2-fluoro-3-pyridinyl)ethanone is a crystalline solid with a molecular weight of approximately 266.04 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. This compound is known for its reactivity, particularly in nucleophilic substitution reactions and electrophilic aromatic substitution reactions.

How is 1-(5-Bromo-2-fluoro-3-pyridinyl)ethanone (CAS: 1111637-74-1) typically synthesized?

1-(5-Bromo-2-fluoro-3-pyridinyl)ethanone is typically synthesized via aromatic substitution reactions, where bromo or fluoro groups are introduced into the pyridine ring. Common methods include electrophilic aromatic substitution using bromine or fluorine in the presence of Lewis acids like aluminum chloride. The yield is generally good, and the method is selective.

What industries use 1-(5-Bromo-2-fluoro-3-pyridinyl)ethanone (CAS: 1111637-74-1)?

1-(5-Bromo-2-fluoro-3-pyridinyl)ethanone is used in the pharmaceutical industry for the synthesis of intermediates in drug development. It is also utilized in the sensor industry for the preparation of functionalized materials and in the semiconductor industry for certain photoresists and etchants.

What precautions should be taken when handling 1-(5-Bromo-2-fluoro-3-pyridinyl)ethanone (CAS: 1111637-74-1)?

Safety precautions include the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handling should be done in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for specific guidance.