1-(2-Bromo-5-chlorophenyl)ethanone

Basic Information

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CAS Number

935-99-9

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

Density

1.566±0.06 g/cm3 (20 ºC 760 Torr),

Refractive Index

1.5517 (589.3 nm 15 ºC)

SMILES

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CC(=O)C1=C(C=CC(=C1)Cl)Br

InChI

1S/C8H6BrClO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-4H,1H3

InChIKey

BCQAWQMDMPBDBW-UHFFFAOYSA-N

LogP

3.3051000000000013

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

160

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1-(2-Bromo-5-chlorophenyl)ethanone
2-Acetyl-1-bromo-4-chlorobenzene
2-Bromo-5-chloroacetophenone
1-(2-bromo-5-chlorophenyl)ethan-1-one
2'-BROMO-5'-CHLOROACETOPHENONE
PubChem23873
BCQAWQMDMPBDBW-UHFFFAOYSA-N
CL8884
LS11579
Ethanone, 1-(2-bromo-5-chlorophenyl)-
BC004983
AM806605
AB0027754
W9625
ST24020993
1-(2-Bromo-5-chlorophenyl)ethanone (ACI)
Acetophenone, 2′-bromo-5′-chloro- (7CI, 8CI)
1-(2-Bromo-5-chlorophenyl)ethan-1-one
2′-Bromo-5′-chloroacetophenone
MFCD11847057
2 inverted exclamation mark -Bromo-5 inverted exclamation mark -chloroacetophenone
GS-3929
DB-362698
CS-0031412
AKOS015919676
DTXSID40500054
SY067370
EN300-1912878
1-(2-BROMO-5-CHLOROPHENYL)ETHANONE
935-99-9
SCHEMBL3121226

MDL Number

MFCD11847057

FAQ

What are the physical and chemical properties of 1-(2-Bromo-5-chlorophenyl)ethanone (CAS: 935-99-9)?

1-(2-Bromo-5-chlorophenyl)ethanone (CAS: 935-99-9) is a white crystalline solid with a molecular weight of approximately 251.03 g/mol. It has a low water solubility and is more soluble in organic solvents like dichloromethane and ethanol. Chemically, it is relatively stable but can undergo nucleophilic substitution reactions, particularly with alkoxides and amines.

How is 1-(2-Bromo-5-chlorophenyl)ethanone (CAS: 935-99-9) typically synthesized?

1-(2-Bromo-5-chlorophenyl)ethanone is typically synthesized by bromination of 1-phenylethanone followed by chlorination of the resulting 2-bromo-1-phenylethanone. Alternatively, it can be prepared by reacting 1-phenylethanone with bromine in the presence of a base, and then chlorinating the product. The reaction usually requires a mild base like potassium carbonate and is carried out in an inert solvent like dichloromethane.

What industries use 1-(2-Bromo-5-chlorophenyl)ethanone (CAS: 935-99-9)?

1-(2-Bromo-5-chlorophenyl)ethanone (CAS: 935-99-9) is used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry as a monomer or intermediate for developing advanced polymers with specific properties. Additionally, it finds applications in the sensor technology sector for the fabrication of gas sensors, and in the semiconductor industry for the production of electronic materials.

What precautions should be taken when handling 1-(2-Bromo-5-chlorophenyl)ethanone (CAS: 935-99-9)?

When handling 1-(2-Bromo-5-chlorophenyl)ethanone (CAS: 935-99-9), it is essential to use appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be carried out in a well-ventilated area or under a fume hood to minimize exposure to toxic fumes. Spills should be cleaned up carefully, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.