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167606

Sigma-Aldrich

3-Chloro-2-butanone

97%

Linear Formula:
CH3CHClCOCH3
CAS Number:
Molecular Weight:
106.55
Beilstein:
385637
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

form

liquid

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 reacts with 1,4-dianion of acetophenone N-ethoxycarbonylhydrazone to yield pyrazoline derivatives.

Application

3-Chloro-2-butanone was used in production of chiral alcohols from acetophenone derivatives, β-ketoesters and N-Boc-3-pyrrolidinone by recombinant E. coli cells. It was used in the synthesis of carbene precursor, 3-aryl-4,5-dimethylthiazolium chloride.

Packaging

100 g in glass bottle

Pictograms

FlameExclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

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

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

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