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CAS Number: 766-83-6
1-chloro-3-ethynylbenzene

Structure

1-chloro-3-ethynylbenzene
Name: 1-chloro-3-ethynylbenzene
Synonyms:
General Information
Product Number: 766836

CAS Registry Number 766-83-6
Name:
Benzene, 1-​chloro-​3-​ethynyl-
1-Chloro-3-ethynylbenzene
1-Ethynyl-3-chlorobenzene
3-Chloro-1-ethynylbenzene
3-Chloroethynylbenzene
3-Chlorophenylacetylene

 

Chemical Formula: C8H5Cl
Exact Mass: 136.01
Molecular Weight: 136.58
m/z: 136.01 (100.0%), 138.01 (32.3%), 137.01 (8.7%), 139.01 (2.8%)

 

InChI:InChI=1S/C8H5Cl/c1-2-7-4-3-5-8(9)6-7/h1,3-6H

InChI Key:GRBJPHPMYOUMJV-UHFFFAOYSA-N

Canonical SMILES:C#CC1=CC(=CC=C1)Cl

Specification

98%

References
  1. (3) Villieras, J.; Synthesis 1979, (7), P502-4 CAPLUS
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