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CAS Number: 78593-42-7
4-ethynylisoquinoline

Structure

4-ethynylisoquinoline
Name: 4-ethynylisoquinoline
Synonyms:
General Information
Product Number: 78593427

CAS Registry Number 78593-42-7
Name:
Isoquinoline, 4-​ethynyl-
4-Ethynylisoquinoline

 

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/c1-2-9-7-12-8-10-5-3-4-6-11(9)10/h1,3-8H

InChI Key:VDIRBUGVPXVPCF-UHFFFAOYSA-N

Canonical SMILES:C#CC1=CN=CC2=CC=CC=C21

 

Thermal Properties Value Condition Note
Melting Point 72-72.5 °C Solv: ligroine (8032-32-4) (2)IC
Melting Point 64.5-66 °C   (1)IC
Melting Point See full text   (3)CAS

Specification

98%

References
  1. (1) Sakamoto, Takao; Synthesis 1983, (4), P312-14 CAPLUS
  2. (2) Ames, D. E.; Synthesis 1981, (5), P364-5 CAPLUS
  3. (3) Crihfield, April; Crystal Growth & Design 2003, V3(3), P313-320 CAPLUS
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