2-Bromo-1-(3,4-difluorophenyl)ethanone

Basic Information

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CAS Number

40706-98-7

Molecular Formula

C8H5BrF2O

Molecular Weight

235.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

28-30 ºC

Boiling Point

261 ℃ at 760 mmHg

Flash Point

110 ℃(230 ℉)(lit.)

SMILES

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C1=CC(=C(C=C1C(=O)CBr)F)F

InChI

InChI=1S/C8H5BrF2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2

InChIKey

BYIVWTZVICGYFS-UHFFFAOYSA-N

LogP

2.5424000000000007

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

174

Safety Information

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Hazard Statement

Hazard Class

Class CORROSIVE Class CORROSIVE

Synonyms & References

English

2-Bromo-3',4'-difluoroacetophenone
2-bromo-1-(3,4-difluorophenyl)ethanone;2-Bromo-3',4'-difluoroacetophenone
AKOS000210992
BCP21017
SCHEMBL366866
2-Methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonylchloride
2-Bromo-3',4' difluoroacetophenone
2-bromo-1-(3,4-difluorophenyl)ethanone
40706-98-7
J-508141
2-Bromo-3',4'-difluoroacetophenone;3,4-Difluorophenacylbromide
CS-0206457
2-bromo-3',4'-difluoro acetophenone
AM20040428
MFCD00085010
PS-9970
3,4-difluorophenacyl bromide
3',4'-difluorophenacyl bromide
3,4-difluorophenacyl bromide, AldrichCPR
FT-0614296
A825249
BYIVWTZVICGYFS-UHFFFAOYSA-N
DTXSID00371787
Ethanone, 2-bromo-1-(3,4-difluorophenyl)-
2-bromo-1-(3,4-difluorophenyl)ethan-1-one
2-Bromo-1-(3,4-difluorophenyl)ethanone
2-Bromo-3,4-difluoroacetophenone
2-Bromo-1-(3,4-difluorophenyl)ethan-1-one
2-bromo-3',4'-difluoroacetophenone
3,4-Difluorophenacyl bromide
a-Bromo-3',4'-difluoroacetophenone

MDL Number

MFCD00085010

FAQ

What are the physical and chemical properties of 2-Bromo-1-(3,4-difluorophenyl)ethanone (CAS: 40706-98-7)?

2-Bromo-1-(3,4-difluorophenyl)ethanone (CAS: 40706-98-7) is a white or off-white crystalline solid with a molecular weight of approximately 260.04 g/mol. It has a low solubility in water but is soluble in organic solvents like dichloromethane and acetonitrile. It is moderately reactive, especially towards nucleophiles and bases. It can undergo bromination and conjugate addition reactions.

How is 2-Bromo-1-(3,4-difluorophenyl)ethanone (CAS: 40706-98-7) typically synthesized?

2-Bromo-1-(3,4-difluorophenyl)ethanone (CAS: 40706-98-7) is typically synthesized via a bromination reaction of 1-(3,4-difluorophenyl)ethanone with bromine in the presence of a Lewis acid catalyst such as aluminum bromide. The reaction involves electrophilic aromatic substitution followed by bromination to yield the desired product with high selectivity and yield.

What industries use 2-Bromo-1-(3,4-difluorophenyl)ethanone (CAS: 40706-98-7)?

2-Bromo-1-(3,4-difluorophenyl)ethanone (CAS: 40706-98-7) is used in the pharmaceutical industry for the synthesis of various drug candidates. It also finds applications in polymer synthesis, particularly in the development of novel functional polymers. Additionally, it is utilized in sensor technologies and semiconductors for its unique chemical properties.

What precautions should be taken when handling 2-Bromo-1-(3,4-difluorophenyl)ethanone (CAS: 40706-98-7)?

When handling 2-Bromo-1-(3,4-difluorophenyl)ethanone (CAS: 40706-98-7), it is essential to wear 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 a spill, it should be cleaned up using appropriate chemical spill cleanup materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.