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CAS Number: 40176-78-1
2-ethynylquinoline

Structure

2-ethynylquinoline
Name: 2-ethynylquinoline
Synonyms:
General Information
Product Number: 40176781

CAS Registry Number 40176-78-1
Name:
Quinoline, 2-?ethynyl-
2-Ethynylquinoline

 

Chemical Formula: C11H7N
Exact Mass: 153.06
Molecular Weight: 153.18
m/z: 153.06 (100.0%), 154.06 (12.0%)

 

InChI:InChI=1S/C11H7N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h1,3-8H

InChI Key:KLJNCYLWOJPRSX-UHFFFAOYSA-N

Canonical SMILES:C#CC1=NC2=CC=CC=C2C=C1

 

Thermal Properties Value Condition Note
Boiling Point 111-113 °C Press: 1 Torr (1)IC
Melting Point 48.5-50 °C   (1)IC
Melting Point 46-47 °C   (2)CAS

Specification

98%

References
  1. (1) Sakamoto, Takao; Synthesis 1983, (4), P312-14 CAPLUS
  2. (2) Rodriguez, J. Gonzalo; Tetrahedron 2005, V61(38), P9042-9051 CAPLUS
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