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CAS Number: 1111-97-3
3-chloro-3-methylbut-1-yne

Structure

3-chloro-3-methylbut-1-yne
Name: 3-chloro-3-methylbut-1-yne
Synonyms:
General Information
Product Number: 1111973

CAS Registry Number 1111-97-3
Name:
1-​Butyne, 3-​chloro-​3-​methyl-
2-Chloro-2-methyl-3-butyne
2-Methyl-2-chloro-3-butyne
2-Methyl-3-butyn-2-yl chloride
3-Chloro-3-methyl-1-butyne
3-Chloro-3-methylbutyne

 

Chemical Formula: C5H7Cl
Exact Mass: 102.02
Molecular Weight: 102.56
m/z: 102.02 (100.0%), 104.02 (32.0%), 103.03 (5.5%), 105.02 (1.7%)

 

InChI:InChI=1S/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3

InChI Key:QSILYWCNPOLKPN-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C#C)Cl

Specification

98%

References
  1. (2) Bergmann, Ernst D.; Journal of the American Chemical Society 1951, V73, P4013-15 CAPLUS
  2. (14) Hennion, G. F.; Journal of the American Chemical Society 1950, V72, P3542-5 CAPLUS
  3. (16) Moulin, Fr.; Helvetica Chimica Acta 1951, V34, P2416-31 CAPLUS
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