ChemicalBook--->CAS DataBase List--->939-52-6

939-52-6

939-52-6 Structure

939-52-6 Structure
IdentificationMore
[Name]

GAMMA-CHLOROBUTYROPHENONE
[CAS]

939-52-6
[Synonyms]

4-CHLORO-1-OXO-1-PHENYLBUTANE
4-CHLORO-1-PHENYL-1-BUTANONE
4-CHLORO-1-PHENYLBUTANONE
4-CHLOROBUTYROPHENONE
GAMMA-CHLOROBUTYROPHENONE
1-Butanone, 4-chloro-1-phenyl-
omega-Chlorobutyrophenone
4-CHLOROBUTYROPHENONE, TECH.
z-Chlorobutyrophenone
4-Chloro-1-phenylbutane-1-one
4-Chlorobutyrophenone,95%
3-chloropropyl phenyl ketone
γ-chlorobutyrophenone
1-(4-chlorophenyl)butan-1-one
gamma-Chlorobutyrophenone, 4-Chloro-1-phenylbutan-1-one
γ-Chlorobutyrophenone, 4-Chloro-1-phenyl-1-butanone
[EINECS(EC#)]

213-362-1
[Molecular Formula]

C10H11ClO
[MDL Number]

MFCD00001005
[Molecular Weight]

182.65
[MOL File]

939-52-6.mol
Chemical PropertiesBack Directory
[Melting point ]

19-20 °C (lit.)
[Boiling point ]

130-133 °C4 mm Hg
[density ]

1.137 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.544(lit.)
[Fp ]

>230 °F
[storage temp. ]

Storage temp. 2-8°C
[form ]

liquid
[Appearance]

Light yellow to yellow Solid-Liquid Mixture
[BRN ]

878974
[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
[SMILES]

ClCCCC(=O)c1ccccc1
[CAS DataBase Reference]

939-52-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P271-P280
[Hazard Codes ]

Xi
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 2927 6.1/PG 1
[WGK Germany ]

3
[HS Code ]

2914790090
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Ethyl acetate-->Methanol-->Diethyl ether-->Sulfuric acid-->Dichloromethane-->Thionyl chloride-->Sodium bicarbonate-->Benzene-->Lithium Aluminum Hydride-->Aluminum chloride-->p-Toluenesulfonic acid-->Zinc chloride-->Ethylene glycol-->Succinic anhydride-->Gamma Butyrolactone
[Preparation Products]

Cyclopropyl phenyl ketone-->5-Phenyl-3,4-dihydro-2H-pyrrole
Hazard InformationBack Directory
[Uses]

4-Chlorobutyrophenone may be used in the preparation of silyl enol ether, Z-4-chloro-1-phenyl-1-trimethylsilyloxybut-1-ene. It may be used as starting material in the preparation of 8-arylimidazopyridines.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 79, p. 1455, 1957 DOI: 10.1021/ja01563a049
[General Description]

4-Chlorobutyrophenone is a chloro ketone. Preparation of 4-chlorobutyrophenone is reported.
[Purification Methods]

Fractionate the ketone several times using a short column. It recrystallises from pet ether at -20o as glistening white rosettes and is filtered at 0o, and dried in a vacuum desiccator over H2SO4. The semicarbazone has m 136-137o. [Conant et al. J Am Chem Soc 46 1882 1924, Cloke J Chem Soc 1174 1929, Hart & Curtis J Am Chem Soc 79 931 1957, Beilstein 7 IV 711.]
Spectrum DetailBack Directory
[Spectrum Detail]

GAMMA-CHLOROBUTYROPHENONE(939-52-6)1HNMR
GAMMA-CHLOROBUTYROPHENONE(939-52-6)Raman
GAMMA-CHLOROBUTYROPHENONE(939-52-6)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Chlorobutyrophenone, 95%(939-52-6)
[Sigma Aldrich]

939-52-6(sigmaaldrich)
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