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CAS Number: 16520-62-0
but-3-yn-1-ylbenzene

Structure

 but-3-yn-1-ylbenzene
Name: but-3-yn-1-ylbenzene
Synonyms:
General Information
Product Number: 16520620
CAS Registry Number: 16520-62-0
Name:
Benzene, 3-​butyn-​1-​yl-
1-​Butyne, 4-​phenyl- (7CI,​8CI); Benzene, 3-​butynyl- (9CI); (3-​Butynyl)​benzene; 1-​Phenyl-​3-​butyne; 3-​Butyn-​1-​ylbenzene; 4-​Phenyl-​1-​butyne; Phenethylacetylene 
Deleted CAS Registry Numbers: 1388754-​04-​8
 
Chemical Formula: C10H10
Exact Mass: 130.08
Molecular Weight: 130.19
m/z: 130.08 (100.0%), 131.08 (10.9%)
Elemental Analysis: C, 92.26; H, 7.74
 
InChI: InChI=1S/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h1,4-6,8-9H,3,7H2
InChIKey: QDEOKXOYHYUKMS-UHFFFAOYSA-N
Canonical SMILES : C#CCCC1=CC=CC=C1
 
Thermal Properties Value Condition Note
Boiling Point 90 °C Press: 14 Torr (1)CAS
Boiling Point 72-78 °C Press: 11 Torr (2)CAS
Boiling Point 72 °C Press: 15 Torr (3)IC

Specification

98%
References
  1. (1) Smejkal, J.; Collection of Czechoslovak Chemical Communications 1963, V28, P404-10 CAPLUS
  2. (2) Grummitt, Oliver; Journal of the American Chemical Society 1948, V70, P149-54 CAPLUS
  3. (3) Hommes, H.; Recueil des Travaux Chimiques des Pays-Bas 1980, V99(4), P113-14 CAPLUS
  4. (4) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  5. (5) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
  6. (6) Beshai, Mira; Tetrahedron Letters 2008, V49(48), P6794-6796 CAPLUS
  7. (7) Nishizawa, Mugio; Organic Letters 2003, V5(24), P4563-4565 CAPLUS
  8. (8) Lyapkalo, Ilya M.; Synlett 2009, (4), P558-561 CAPLUS
  9. (9) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  10. (10) Bejot, Romain; Tetrahedron Letters 2007, V48(22), P3855-3858 CAPLUS
  11. (11) Cheung, Lawrence L. W.; Organic Letters 2009, V11(6), P1281-1284 CAPLUS
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