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4-Chloro-2-butanone

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Name

4-Chloro-2-butanone

EINECS 228-680-6
CAS No. 6322-49-2 Density 1.033 g/cm3
PSA 17.07000 LogP 1.20430
Solubility N/A Melting Point N/A
Formula C4H7ClO Boiling Point 145.6 °C at 760 mmHg
Molecular Weight 106.552 Flash Point 45.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6322-49-2 (4-CHLORO-2-BUTANONE) Hazard Symbols N/A
Synonyms

1-Chloro-3-butanone;2-Chloroethyl methyl ketone;4-Chloro-2-butanone;NSC 32104;b-Chloroethyl methyl ketone;

Article Data 47

4-Chloro-2-butanone Specification

The CAS register number of 2-Butanone, 4-chloro- is 6322-49-2. It also can be called as 1-Chloro-3-butanone and the systematic name about this chemical is 4-chlorobutan-2-one. The molecular formula about this chemical is C4H7ClO and the molecular weight is 106.55.

Physical properties about 2-Butanone, 4-chloro- are: (1)ACD/LogP: 0.44; (2)ACD/LogD (pH 5.5): 0.44; (3)ACD/LogD (pH 7.4): 0.44; (4)ACD/BCF (pH 5.5): 1.27; (5)ACD/BCF (pH 7.4): 1.27; (6)ACD/KOC (pH 5.5): 41.41; (7)ACD/KOC (pH 7.4): 41.41; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.408; (12)Molar Refractivity: 25.45 cm3; (13)Molar Volume: 103 cm3; (14)Polarizability: 10.09x10-24cm3; (15)Surface Tension: 26.9 dyne/cm; (16)Density: 1.033 g/cm3; (17)Flash Point: 45.5 °C; (18)Enthalpy of Vaporization: 38.27 kJ/mol; (19)Boiling Point: 145.6 °C at 760 mmHg; (20)Vapour Pressure: 4.82 mmHg at 25 °C.

Preparation: this chemical can be prepared by acetyl chloride and ethene. This reaction will need reagent of FeCl3, hexane.

Uses of 2-Butanone, 4-chloro-: it can be used to produce 4-chloro-butan-2-ol. This reaction will need reagent of NaBH4 and solvent of ethanol.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCC(=O)C
(2)InChI: InChI=1/C4H7ClO/c1-4(6)2-3-5/h2-3H2,1H3
(3)InChIKey: MAGOYBJJLVSJIC-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C4H7ClO/c1-4(6)2-3-5/h2-3H2,1H3 (5)Std. InChIKey: MAGOYBJJLVSJIC-UHFFFAOYSA-N

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