2-Bromo-1-(4-fluorophenyl)ethanone

Basic Information

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CAS Number

403-29-2

Molecular Formula

C8H6BrFO

Molecular Weight

217.04 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

46.0 to 50.0 deg-C

Boiling Point

153°C/12mmHg

Solubility

Soluble in methanol.

Refractive Index

1.5450 (estimate)

SMILES

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

InChI

InChI=1S/C8H6BrFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2

InChIKey

ZJFWCELATJMDNO-UHFFFAOYSA-N

LogP

2.4033000000000007

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

141

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Lachrymatory

Synonyms & References

English

MFCD00040830
2-bromo4'-fluoroacetophenone
W-106364
BB 0221162
SCHEMBL120278
F0001-1141
CHEMBL317046
EINECS 206-955-1
alpha-Bromo-4-Fluoro Acetophenone
2-bromo-4'fluoroacetophenone
2-bromo-4' fluoroacetophenone
a-bromo-4-fluoroacetophenone
BDBM50119681
Acetophenone, 2-bromo-4'-fluoro-
2-Bromo-1-(4-fluorophenyl)ethanone
DTXSID20193307
2-Bromo-1-(4-fluorophenyl)ethan-1-one
N3PVV2GVQ8
UNII-N3PVV2GVQ8
NSC88343
omega-Bromo-4-fluoroacetophenone
2-bromo-4'-fluoro-acetophenone
4'-fluoro-2-bromoacetophenone
CS-W009314
B2382
p-Fluorophenacyl bromide
2-bromo-1-(4-fluorophenyl)-ethanone
.omega.-Bromo-4-fluoroacetophenone
NS00043264
2-Bromo-1-(4-fluoro-phenyl)-ethanone
2-bromo-1-(4-fluorophenyl) ethan-1-one

MDL Number

MFCD00040830

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 2-Bromo-1-(4-fluorophenyl)ethanone (CAS: 403-29-2)?

2-Bromo-1-(4-fluorophenyl)ethanone (CAS: 403-29-2) is a white crystalline solid with a molecular weight of approximately 228.04 g/mol. It has a density of about 1.32 g/cm³ and is slightly soluble in water. The compound is known for its high reactivity, particularly in nucleophilic substitution reactions.

How is 2-Bromo-1-(4-fluorophenyl)ethanone (CAS: 403-29-2) typically synthesized?

2-Bromo-1-(4-fluorophenyl)ethanone (CAS: 403-29-2) is typically synthesized via bromination of 1-(4-fluorophenyl)ethanone using a brominating agent like N-bromosuccinimide (NBS) in an organic solvent like acetonitrile. The reaction is often carried out under light or heat with a yield of about 70-80%.

What industries use 2-Bromo-1-(4-fluorophenyl)ethanone (CAS: 403-29-2)?

2-Bromo-1-(4-fluorophenyl)ethanone (CAS: 403-29-2) is primarily used in the pharmaceutical industry for the synthesis of various medicinals. It also finds applications in the polymer industry for the preparation of specific polymer additives.

What precautions should be taken when handling 2-Bromo-1-(4-fluorophenyl)ethanone (CAS: 403-29-2)?

When handling 2-Bromo-1-(4-fluorophenyl)ethanone (CAS: 403-29-2), ensure the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle under a fume hood to avoid inhalation. Store in a cool, dry place away from heat sources. In case of spill, neutralize with an appropriate chemical and dispose of according to local regulations. Refer to the Material Safety Data Sheet (MSDS) for detailed safety information.