1-Chloro-3-phenylacetone

Basic Information

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CAS Number

937-38-2

Molecular Formula

C9H9ClO

Molecular Weight

168.62 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

72-73 ℃

Boiling Point

244.7°Cat760mmHg

Density

1.145

Flash Point

119.6°C

Refractive Index

1.527

SMILES

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C1=CC=C(C=C1)CC(=O)CCl

InChI

InChI=1S/C9H9ClO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

NIOHSOXYJMSVOA-UHFFFAOYSA-N

LogP

2.037

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

128

Synonyms & References

English

benzyl chloromethyl ketone
BS-13404
1-chloro-3-phenyl-2-propanone
937-38-2
DTXSID10284738
NIOHSOXYJMSVOA-UHFFFAOYSA-N
MFCD08444188
Y10931
1-chloro-3-phenylpropan-2-one
Z164706024
AKOS000119308
2-Propanone, 1-chloro-3-phenyl-
3-phenyl-1-chloropropan-2-one
FT-0657074
NSC38775
EN300-23737
NSC-38775
1-chloro 3-phenyl propan-2-one
A844694
1-chloro-3-phenyl-propan-2-one
SCHEMBL1721404
1-chloro-3-phenylacetone
2-Propanone,1-chloro-3-phenyl-
1-CHLORO-3-PHENYLACETONE
3-chloro-1-phenyl-2-propanone

MDL Number

MFCD08444188

FAQ

What are the physical and chemical properties of 1-Chloro-3-phenylacetone (CAS: 937-38-2)?

1-Chloro-3-phenylacetone (CAS: 937-38-2) is a white or pale yellow crystalline solid. Its molecular weight is approximately 226.68 g/mol. This compound is slightly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is moderately reactive and can undergo nucleophilic substitution reactions. It is also prone to hydrolysis under basic conditions.

How is 1-Chloro-3-phenylacetone (CAS: 937-38-2) typically synthesized?

1-Chloro-3-phenylacetone (CAS: 937-38-2) is typically synthesized via the reaction of 3-phenylacetyl chloride with sodium chloride in the presence of an acid catalyst. This process involves the nucleophilic substitution of the chloride ion, leading to the formation of the target compound with high selectivity and yield.

What industries use 1-Chloro-3-phenylacetone (CAS: 937-38-2)?

1-Chloro-3-phenylacetone (CAS: 937-38-2) is used in various industries, particularly in pharmaceuticals for the synthesis of certain drugs, and in the production of fragrances and flavorings. It is also utilized in the formulation of certain chemical sensors and as a precursor in the synthesis of semiconductors.

What precautions should be taken when handling 1-Chloro-3-phenylacetone (CAS: 937-38-2)?

When handling 1-Chloro-3-phenylacetone (CAS: 937-38-2), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Proper waste disposal protocols should be followed, and spills should be cleaned up according to the Material Safety Data Sheet (MSDS).