167606
3-Chloro-2-butanone
97%
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About This Item
Linear Formula:
CH3CHClCOCH3
CAS Number:
Molecular Weight:
106.55
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
223-834-9
Beilstein/REAXYS Number:
385637
MDL number:
Assay:
97%
Form:
liquid
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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signalword
Warning
hcodes
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
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