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| CAS No.: | 6322-49-2 |
|---|---|
| Name: | 4-CHLORO-2-BUTANONE |
| Article Data: | 47 |
| Molecular Structure: | |
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| Formula: | C4H7ClO |
| Molecular Weight: | 106.552 |
| Synonyms: | 1-Chloro-3-butanone;2-Chloroethyl methyl ketone;4-Chloro-2-butanone;NSC 32104;b-Chloroethyl methyl ketone; |
| EINECS: | 228-680-6 |
| Density: | 1.033 g/cm3 |
| Boiling Point: | 145.6 °C at 760 mmHg |
| Flash Point: | 45.5 °C |
| PSA: | 17.07000 |
| LogP: | 1.20430 |
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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.
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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.
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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