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CAS Number: 67237-53-0
3-ethynylthiophene

Structure

3-ethynylthiophene
Name: 3-ethynylthiophene
Synonyms:
General Information
Product Number: 67237530

CAS Registry Number 67237-53-0
Name:
Thiophene, 3-​ethynyl-
(3-Thiophene)acetylene
3-Ethynylthiophene
3-Thienylacetylene

 

Chemical Formula: C6H4S
Exact Mass: 108.00
Molecular Weight: 108.16
m/z: 108.00 (100.0%), 109.01 (6.5%), 110.00 (4.5%)

 

InChI:InChI=1S/C6H4S/c1-2-6-3-4-7-5-6/h1,3-5H

InChI Key:MJHLPKWONJUCFK-UHFFFAOYSA-N

Canonical SMILES:C#CC1=CSC=C1

 

Thermal Properties Value Condition Note
Boiling Point 134-135 °C Press: 760 Torr (1)IC
Boiling Point 48-50 °C Press: 15 Torr (2)IC

Specification

98%

References
  1. (1) Wentrup, Curt; Angewandte Chemie 1978, V90(8), P643-4 CAPLUS
  2. (2) Beny, Jean Pierre; Journal of Organic Chemistry 1982, V47(11), P2201-4 CAPLUS
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