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167606

3-Chloro-2-butanone

97%

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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:
24850218
EC Number:
223-834-9
Beilstein/REAXYS Number:
385637
MDL number:
MFCD00000865
eCl@ss:
32129103
Assay:
97%
Form:
liquid
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Quality Segment

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.)

functional group

chloro, ketone

SMILES string

CC(Cl)C(C)=O

InChI

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

InChI key

OIMRLHCSLQUXLL-UHFFFAOYSA-N

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.

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Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Codes

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 (personal protective equipment)

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

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