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

Basic Information

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CAS Number

536-38-9

Molecular Formula

C8H6BrClO

Molecular Weight

233.49 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

96.0 to 100.0 deg-C

Boiling Point

186°C (rough estimate)

Water Solubility

Insoluble in water.

Flash Point

129°C

Refractive Index

1.5963 (estimate)

SMILES

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

InChI

InChI=1S/C8H6BrClO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2

InChIKey

FLAYZKKEOIAALB-UHFFFAOYSA-N

LogP

2.917600000000001

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

Toxicity

LD50 orally in mice: >2000 mg/kg (Dat-Xuong)

Synonyms & References

English

NSC 8452
2-Bromo-1-(4-Chlorophenyl)Ethan-1-One
p-(Bromoacetyl)chlorobenzene
MFCD00000625
2R0V40DI4R
4'-Chloro-2-bromoacetophenone
STR01162
EN300-20904
4-07-00-00651 (Beilstein Handbook Reference)
DTXSID7060209
omega-Bromo-p-chloroacetophenone
Acetophenone, 2-bromo-4'-chloro-
Ethanone, 2-bromo-1-(4-chlorophenyl)-
1-Bromoacetyl-4-chlorobenzene
BB 0221160
536-38-9
alpha-Bromo-4-chloroacetophenone
P-CHLOROPHENACYL BROMIDE [MI]
2-Bromo-4 inverted exclamation marka-chloroacetophenone
InChI=1/C8H6BrClO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
BP-13010
EINECS 208-631-5
2-Bromo-1-(4-chlorophenyl)ethanone
4-Chloro-omega-bromoacetophenone
B0568
p-Chloro-omega-bromoacetophenone
.alpha.-Bromo-4'-chloroacetophenone
2-Bromo-1-(4-chloro-phenyl)-ethanone
NSC-8452
NCGC00186407-01
p-Chloro-.omega.-bromoacetophenone

MDL Number

MFCD00000625

Customs Code

2914399090

FAQ

What are the physical and chemical properties of 2-Bromo-1-(4-chlorophenyl)ethanone (CAS: 536-38-9)?

2-Bromo-1-(4-chlorophenyl)ethanone is a crystalline solid with a molecular weight of approximately 264.04 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. This compound is known for its reactivity towards nucleophiles due to the bromine and chloro groups. It is a highly reactive intermediate used in organic synthesis.

How is 2-Bromo-1-(4-chlorophenyl)ethanone (CAS: 536-38-9) typically synthesized?

2-Bromo-1-(4-chlorophenyl)ethanone is typically synthesized via a bromination reaction of 1-(4-chlorophenyl)ethanone. This is usually achieved using N-bromosuccinimide (NBS) in an appropriate solvent such as dichloromethane. The reaction is conducted under light or heat to achieve the desired bromination with high selectivity. The yield is generally good, around 70-80%.

What industries use 2-Bromo-1-(4-chlorophenyl)ethanone (CAS: 536-38-9)?

2-Bromo-1-(4-chlorophenyl)ethanone is primarily used in the pharmaceutical industry, where it serves as an intermediate in the synthesis of various drugs. It also finds applications in the polymer industry, where it can be used in the development of functional polymers. Additionally, it is used in the production of sensors and other specialized chemicals.

What precautions should be taken when handling 2-Bromo-1-(4-chlorophenyl)ethanone (CAS: 536-38-9)?

When handling 2-Bromo-1-(4-chlorophenyl)ethanone (CAS: 536-38-9), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and lab coats. This compound should be handled in a well-ventilated area or inside a fume hood due to its potential for generating toxic fumes. In case of a spill, it should be cleaned up using appropriate methods as outlined in the Safety Data Sheet (SDS).