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10904

3-Chloro-2-butanone

Name: 3-Chloro-2-butanone
Brand: ALDRICH

Wacker Chemie AG, ≥96.0% (GC)

Synonym(s):

Chloro-MEK

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About This Item

Linear Formula:

CH₃CHClCOCH₃

CAS Number:

4091-39-8

Molecular Weight:

106.55

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

57646838

EC Number:

223-834-9

Beilstein/REAXYS Number:

385637

MDL number:

MFCD00000865

Assay:

≥96.0% (GC)

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Properties

Quality Level

200

assay

≥96.0% (GC)

manufacturer/tradename

Wacker Chemie AG

refractive index

n20/D 1.421 (lit.)

bp

114-117 °C (lit.)

density

1.055 g/mL at 25 °C (lit.)

SMILES string

CC(Cl)C(C)=O

InChI

1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3

InChI key

OIMRLHCSLQUXLL-UHFFFAOYSA-N

Description

General description

3-Chloro-2-butanone when treated with aq. sodium thiocyanate forms 3-thiocyano-2-butanone.

Application

3-Chloro-2-butanone was used to study various carbonylic compounds as substrates for 4-hydroxyacetophenone monooxygenase from Pseudomonas fluorescens ACB.

Other Notes

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pictograms

GHS02,GHS07

signalword

Warning

hcodes

H226,H302

pcodes

P210 - P233 - P240 - P241 - P242 - P301 + P312

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

82.4 °F - closed cup

flash_point_c

28 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Reactions of 3-Thiocyano-2-butanone. I. The Preparation of 2-Substituted-4, 5-dimethylthiazoles.

Gregory JT and Mathes RA.

Journal of the American Chemical Society, 74(7), 1719-1720 (1952)

Substrate specificity and enantioselectivity of 4-hydroxyacetophenone monooxygenase.

Nanne M Kamerbeek et al.

Applied and environmental microbiology, 69(1), 419-426 (2003-01-07)

The 4-hydroxyacetophenone monooxygenase (HAPMO) from Pseudomonas fluorescens ACB catalyzes NADPH- and oxygen-dependent Baeyer-Villiger oxidation of 4-hydroxyacetophenone to the corresponding acetate ester. Using the purified enzyme from recombinant Escherichia coli, we found that a broad range of carbonylic compounds that are