Home Other Building Blocks 3-Phenyl-1-propyne

3-Phenyl-1-propyne

CAS No.:
10147-11-2
Catalog Number:
AG0004KH
Molecular Formula:
C9H8
Molecular Weight:
116.1598
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$63
- +
5g
95%
In Stock USA
United States
$175
- +
25g
95%
In Stock USA
United States
$713
- +
Product Description
Catalog Number:
AG0004KH
Chemical Name:
3-Phenyl-1-propyne
CAS Number:
10147-11-2
Molecular Formula:
C9H8
Molecular Weight:
116.1598
MDL Number:
MFCD00134431
IUPAC Name:
prop-2-ynylbenzene
InChI:
InChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h1,3-5,7-8H,6H2
InChI Key:
NGKSKVYWPINGLI-UHFFFAOYSA-N
SMILES:
CC#Cc1ccccc1
UNII:
EU32H24A0A
Properties
Complexity:
109  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.163g/mol
Monoisotopic Mass:
116.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Phenylpropargyl radicals and their dimerization products: an IR/UV double resonance study. The journal of physical chemistry. A 20120823
Sequential allenylidene/vinylidene cyclization for stereoselective construction of bicyclic carbocycles from propargyl alcohol. Organic letters 20120803
Syntheses of α-pyrones using gold-catalyzed coupling reactions. Organic letters 20110603
Photoionization of three isomers of the C9H7 radical. The journal of physical chemistry. A 20100415
Identification of the jet-cooled 1-indanyl radical by electronic spectroscopy. The journal of physical chemistry. A 20090924
Spectroscopic identification of the resonance-stabilized cis- and trans-1-vinylpropargyl radicals. Journal of the American Chemical Society 20090923
Laser-induced fluorescence and dispersed fluorescence spectroscopy of jet-cooled 1-phenylpropargyl radical. The Journal of chemical physics 20090414
Spectroscopic observation of the resonance-stabilized 1-phenylpropargyl radical. Journal of the American Chemical Society 20080312
Claisen rearrangement induced by low-energy collision of ESI-generated, protonated benzyloxy indoles. Journal of mass spectrometry : JMS 20071201
Reaction dynamics of phenyl radicals (C6H5, X2A') with methylacetylene (CH3CCH(X1A1)), allene (H2CCCH2(X1A1)), and their D4-isotopomers. The journal of physical chemistry. A 20071115
Photochemical and discharge-driven pathways to aromatic products from 1,3-butadiene. The journal of physical chemistry. A 20071101
Characterization of substituted polyacetylene microstructure by pyrolysis gas chromatography. Journal of separation science 20070301
[(NHC)AuI]-catalyzed formation of conjugated enones and enals: an experimental and computational study. Chemistry (Weinheim an der Bergstrasse, Germany) 20070101
Organometallic coordination polymers generated from bent Bis(acetylenylphenyl)oxadiazole ligands and Ag(I) salts. Inorganic chemistry 20050919
The Pd(4)(dppm)(4)(H)(2)(2+) cluster: a precatalyst for the homogeneous hydrogenation of alkynes. Inorganic chemistry 20040126
Properties