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CAS Number: 29683-77-0
2-chloro-1-(thiophen-2-yl)ethanone

Structure

2-chloro-1-(thiophen-2-yl)ethanone
Name: 2-chloro-1-(thiophen-2-yl)ethanone
Synonyms:
General Information
Product Number: 29683770

CAS Registry Number 29683-77-0
Name:
Ethanone, 2-?chloro-?1-?(2-?thienyl)?-
Ketone, chloromethyl 2-thienyl (7CI,8CI)
2-Chloro-1-(2-thienyl)ethanone
2-(2-Chloroacetyl)thiophene
2-(Chloroacetyl)thiophene
2-Chloro-1-(thiophen-2-yl)-1-ethanone

 

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/c7-4-5(8)6-2-1-3-9-6/h1-3H,4H2

InChI Key:KHOWLHQEABZKNA-UHFFFAOYSA-N

Canonical SMILES:C1=CSC(=C1)C(=O)CCl

 

Thermal Properties Value Condition Note
Boiling Point 140-146 °C Press: 20 Torr (1)CAS
Boiling Point 111-113 °C Press: 5 Torr (2)CAS
Boiling Point 80-102 °C Press: 0.03 Torr (3)IC
Melting Point 47-48 °C   (2)CAS
Melting Point 47-48 °C Solv: ligroine (8032-32-4) (1)CAS
Melting Point 46.5-47.5 °C Solv: ethanol (64-17-5) (3)IC
Melting Point 46 °C Solv: isopropyl ether (108-20-3) (6)IC
Melting Point 42-43 °C (decomp)   (4)CAS

Specification

98%

References
  1. (1) van der Plas, H. C.; Recueil des Travaux Chimiques des Pays-Bas 1964, V83(7), P701-7 CAPLUS
  2. (2) Emerson, Wm. S.; Journal of Organic Chemistry 1948, V13, P722-8 CAPLUS
  3. (3) Miyahara, Yuji; Journal of Heterocyclic Chemistry 1979, V16(6), P1147-51 CAPLUS
  4. (4) Yoshimatsu, Mitsuhiro; European Journal of Organic Chemistry 2007, (3), P498-507 CAPLUS
  5. (6) Guy, Alain; Synthesis 1982, (12), P1018-20 CAPLUS
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