CAS 78-95-5|1-Chloroacetone 95%|1-chloropropan-2-one|1-Chloropropan-2-one|chloroacetone|一氯丙酮|MCA|tonite|Chloroacetone, 95%, stab. with 0.1% epoxidized soybean oil|氯丙酮, 95%, 0.1%环氧大豆油作...

General Information

Structure

Molecular Formula

C₃H₅ClO

Molecular Mass

92.5242

Exact Mass

92.00289246

Charge

InChI

InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3

InChIKey

BULLHNJGPPOUOX-UHFFFAOYSA-N

Canonic Smiles

CC(=O)CCl

Isomeric Smiles

ClCC(=O)C

Calculated Properties

JChem

Acid pKa

17.131659

H Acceptors

H Donor

LogD (pH = 5.5)

0.6436236

LogD (pH = 7.4)

0.6436236

Log P

0.6436236

Molar Refractivity

20.948

Polarizability

8.223519

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

1-Chloropropan-2-one1-Chloroacetone 95%氯丙酮, 95%, 0.1%环氧大豆油作稳定剂UN 1695Chloroacetone, 95%, stab. with 0.1% epoxidized soybean oil一氯丙酮MCA氯丙酮ChloroacetoneAcetonyl chloride, chloropropanone, 1-chloro-2-propanone, monochloroacetone, 1-chloro-2-ketopropane, 1-chloro-2-oxypropaneChloroacetone1-Chloro-2-propanoneChloro-2-propanone1-氯-2-丙酮

IUPAC Traditional name

chloroacetone tonite

IUPAC name

1-chloropropan-2-one

Names and Identifiers

Registration numbers

CAS Number

78-95-5

EC Number

201-161-1

Beilstein Number

605369