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Merck
CN

183415

Sigma-Aldrich

3′,4′-Dichloropropiophenone

99%

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About This Item

Linear Formula:
Cl2C6H3COC2H5
CAS Number:
6582-42-9
Molecular Weight:
203.07
EC Number:
229-511-9
MDL number:
MFCD00000554
UNSPSC Code:
12352100
PubChem Substance ID:
24851050
NACRES:
NA.22

Key Documents

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Assay

99%

form

solid

bp

136-140 °C/18 mmHg (lit.)

mp

44-46 °C (lit.)

functional group

chloro
ketone

SMILES string

CCC(=O)c1ccc(Cl)c(Cl)c1

InChI

1S/C9H8Cl2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3

InChI key

FKGDMSJKLIQBQS-UHFFFAOYSA-N

Application

3′,4′-Dichloropropiophenone was used in the synthesis of (S)-3-chloro-1-(4-chlorophenyl)-1-propanol.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
23925JQ
50123AP
17226PO
11923JU

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A stereocontrolled route to 2-substituted chromans.
Hodgetts KJ.
Tetrahedron Letters, 41(44), 8655-8659 (2000)

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