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Merck
CN

10904

3-Chloro-2-butanone

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

Key Documents

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Product Name

3-Chloro-2-butanone, Wacker Chemie AG, ≥96.0% (GC)

InChI key

OIMRLHCSLQUXLL-UHFFFAOYSA-N

InChI

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

SMILES string

CC(Cl)C(C)=O

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.)

Quality Level

200

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Application

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

General description

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

Other Notes

prices for bulk quantities on request

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

hcodes

H226,H302

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCN8453
BCCN3803
BCCM8030
BCCM2704
BCCL7798

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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)
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

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