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Sigma-Aldrich

3-Chloropropiophenone

98%

Synonym(s):

β-Chloropropiophenone, 3-Chloro-1-phenyl-1-propanone

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About This Item

Linear Formula:
ClCH2CH2COC6H5
CAS Number:
936-59-4
Molecular Weight:
168.62
Beilstein/REAXYS Number:
2043580
EC Number:
213-317-6
MDL number:
MFCD00000990
UNSPSC Code:
12352100
PubChem Substance ID:
24860332
NACRES:
NA.22

assay

98%

form

solid

bp

113-115 °C/4 mmHg (lit.)

mp

48-50 °C (lit.)

SMILES string

ClCCC(=O)c1ccccc1

InChI

1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2

InChI key

KTJRGPZVSKWRTJ-UHFFFAOYSA-N

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Application

3-Chloropropiophenone was used in the asymmetric reduction of (S)-3-chloro-1-phenylpropanol using preheated Candida utilis cells immobilized in calcium alginate gel beads. It was also used in the synthesis of (R)-3-chloro-1-phenyl-1-propanol via asymmetric reduction using in-situ generated oxazaborolidine catalyst derived from (S)-α,α-diphenylprolinol.

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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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