4-Chlorobutyrophenone

Basic Information

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CAS Number

939-52-6

Molecular Formula

C10H11ClO

Molecular Weight

182.65 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

19-20 °C

Boiling Point

130-133 °C4 mm Hg

Density

1.137 g/mL at 25 °C

Refractive Index

n20/D 1.544(lit.)

SMILES

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C1=CC=C(C=C1)C(=O)CCCCl

InChI

InChI=1S/C10H11ClO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2

InChIKey

GHEFQKHLHFXSBR-UHFFFAOYSA-N

LogP

2.888300000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

139

Synonyms & References

English

1-Butanone,4-chloro-1-phenyl-
4-Chloro-1-oxo-1-phenylbutane
4’-CHLOROBUTYROPHENONE
4-chloro-1-phenylbutan-1-one
GAMMA-CHLOROBUTYROPHENONE
1-Benzoyl-3-chloropropane
3-Benzoylpropyl chloride
3-Chloropropyl phenyl ketone
4-Chloro-1-phenyl-1-butanone
NSC 76579
4-Chloro-1-phenyl-1-butanone (ACI)
Butyrophenone, 4-chloro- (6CI, 7CI, 8CI)
4-Chlorobutyrophenone
γ-Chlorobutyrophenone
gamma-Chlorobutyrophenone
SY274770
1-phenyl-4-chlorobutan-1-one
AS-57605
4-chloro-1-phenylbutan-1one
DTXSID10917236
.gamma.-Chlorobutyrophenone
AKOS000120406
Q63393283
.omega.-Chlorobutyrophenone
QR9PK9JWG3
1-phenyl-4-chloro-butan-1-one
1-Butanone, 4-chloro-1-phenyl-
1-chloro-4-phenylbutan-4-one
Chlorpropylphenylketon
4-chlorobutyro-phenone
3-benzoylpropyl chloride

MDL Number

MFCD00001005

Customs Code

2914700090

FAQ

What is 4-Chlorobutyrophenone (CAS: 939-52-6)?

4-Chlorobutyrophenone (CAS: 939-52-6) is a chemical compound characterized by its aromatic structure with a chlorine substituent attached to the butyrophenone ring. It is a colorless to white solid with a melting point around 101-102°C.

What are the main uses of 4-Chlorobutyrophenone (CAS: 939-52-6)?

4-Chlorobutyrophenone (CAS: 939-52-6) is primarily used in the synthesis of pharmaceuticals, particularly as a precursor in the production of certain medications. It is also utilized in the chemical industry for various applications, including research and development of novel compounds.

Is 4-Chlorobutyrophenone (CAS: 939-52-6) safe?

4-Chlorobutyrophenone (CAS: 939-52-6) can be hazardous if not handled properly. It is important to follow safety guidelines, wear appropriate personal protective equipment (PPE), and ensure proper ventilation. Exposure to skin or inhalation may cause irritation, so precautions should be taken to prevent such incidents.

How should 4-Chlorobutyrophenone (CAS: 939-52-6) be stored?

4-Chlorobutyrophenone (CAS: 939-52-6) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed, amber-colored container to protect it from light and moisture. The storage area should be well-ventilated to prevent the buildup of harmful vapors.