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CAS Number: 6310-09-4
1-(5-chlorothiophen-2-yl)ethanone

Structure

1-(5-chlorothiophen-2-yl)ethanone
Name: 1-(5-chlorothiophen-2-yl)ethanone
Synonyms:
General Information
Product Number: 6310094

CAS Registry Number 6310-09-4
Name:
Ethanone, 1-?(5-?chloro-?2-?thienyl)?-
Ketone, 5-chloro-2-thienyl methyl (6CI,7CI,8CI)
1-(5-Chloro-2-thienyl)ethanone
1-(5-Chlorothiophen-2-yl)ethan-1-one
1-(5-Chlorothiophen-2-yl)ethanone
2-Acetyl-5-chlorothiophene

 

Chemical Formula: C6H5ClOS
Exact Mass: 159.97
Molecular Weight: 160.62
m/z: 159.97 (100.0%), 161.97 (36.5%), 160.98 (6.6%), 162.98 (2.1%), 163.97 (1.5%)

 

InChI:InChI=1S/C6H5ClOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3

InChI Key:HTZGPEHWQCRXGZ-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=CC=C(S1)Cl

 

Thermal Properties Value Condition Note
Boiling Point 95-96 °C Press: 7 Torr (1)CAS
Boiling Point 95-96 °C Press: 7 Torr (2)CAS
Boiling Point 88-89 °C Press: 4.5 Torr (3)CAS
Boiling Point See full text   (4)CAS
Melting Point 52 °C   (13)SRC
Melting Point 51-52 °C   (14)IC
Melting Point 46.5-47 °C   (15)CAS

Specification

98%

References
  1. (1) Hartough, Howard D.; Journal of the American Chemical Society 1947, V69, P1014-16 CAPLUS
  2. (2) Szmant, H. Harry; Journal of the American Chemical Society 1951, V73, P4521-3 CAPLUS
  3. (3) Farrar, Martin W.; Journal of the American Chemical Society 1950, V72, P3695-8 CAPLUS
  4. (4) Su, Weike; Journal of Chemical Research, Synopses 2003, (11), P694-695 CAPLUS
  5. (12) He, Fei; Synthetic Communications 2008, V38(2), P255-264 CAPLUS
  6. (13) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  7. (14) Goda, Hiroshi; EP 245835 A2 1987 CAPLUS
  8. (15) Hartough, Howard D.; US 2484706 1949 CAPLUS
  9. (16) Kreuz, Kenneth L.; US 2642440 1953 CAPLUS
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