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CAS Number: 369-33-5
1-(3,4-difluorophenyl)ethanone

Structure

1-(3,4-difluorophenyl)ethanone
Name: 1-(3,4-difluorophenyl)ethanone
Synonyms:
General Information
Product Number: 369335

CAS Registry Number 369-33-5
Name:
Ethanone, 1-​(3,​4-​difluorophenyl)​-
Acetophenone, 3',4'-difluoro- (8CI)
1-(3,4-Difluorophenyl)ethan-1-one
1-(3,4-Difluorophenyl)ethanone
3',4'-Difluoroacetophenone

 

Chemical Formula: C8H6F2O
Exact Mass: 156.04
Molecular Weight: 156.13
m/z: 156.04 (100.0%), 157.04 (8.8%)

 

InChI:InChI=1S/C8H6F2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3

InChI Key:VWJSSJFLXRMYNV-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=CC(=C(C=C1)F)F

 

Thermal Properties Value Condition Note
Boiling Point 200-201 °C Press: 734 Torr (1)CAS
Boiling Point 170 °C Press: 760 Torr (2)IC
Boiling Point 94-95 °C Press: 13 Torr (1)CAS
Boiling Point 39 °C Press: 0.1 Torr (3)IC
Melting Point 19.5-20 °C   (1)CAS

Specification

98%

References
  1. (1) Minor, John T.; Journal of Organic Chemistry 1952, V17, P1425-30 CAPLUS
  2. (2) Joshi, Krishna C.; Journal of Fluorine Chemistry 1980, V15(3), P245-52 CAPLUS
  3. (3) Ridge, David N.; Journal of Medicinal Chemistry 1979, V22(11), P1385-9 CAPLUS
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