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167606

Sigma-Aldrich

3-Chloro-2-butanone

97%

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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:
24850218
NACRES:
NA.22

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.

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

167606-VAR:
167606-5G:
167606-BULK:
167606-100G:
167606-500G:

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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Reaction of α-chloroketones with 1, 4-dianion of acetophenone n-ethoxy-carbonylhydrazone.
Matsumura N, et al.
Tetrahedron Letters, 25(40), 4529-4532 (1984)
Nobuya Itoh et al.
European journal of biochemistry, 269(9), 2394-2402 (2002-05-03)
Phenylacetaldehyde reductase (PAR) produced by styrene-assimilating Corynebacterium strain ST-10 was used to synthesize chiral alcohols. This enzyme with a broad substrate range reduced various prochiral aromatic ketones and beta-ketoesters to yield optically active secondary alcohols with an enantiomeric purity of
Georgios C Vougioukalakis et al.
Journal of the American Chemical Society, 130(7), 2234-2245 (2008-01-29)
A new family of ruthenium-based olefin metathesis catalysts bearing a series of thiazole-2-ylidene ligands has been prepared. These complexes are readily accessible in one step from commercially available (PCy3)2Cl2Ru=CHPh or (PCy3)Cl2Ru=CH(o-iPrO-Ph) and have been fully characterized. The X-ray crystal structures

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