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10904

Sigma-Aldrich

3-Chloro-2-butanone

produced by Wacker Chemie AG, Burghausen, Germany, ≥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
Beilstein:
385637
EC Number:
223-834-9
MDL number:
MFCD00000865
UNSPSC Code:
12352100
PubChem Substance ID:
57646838
NACRES:
NA.22

grade

produced by Wacker Chemie AG, Burghausen, Germany

Assay

≥96.0% (GC)

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

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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

prices for bulk quantities on request

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H302

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

82.4 °F - closed cup

Flash Point(C)

28 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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