Home Other Building Blocks 10147-11-2
10147-11-2,MFCD00134431
Catalog No.:AA0004HP
10147-11-2 | 3-Phenyl-1-propyne
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1g
95%
in stock  
$71.00   $50.00
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5g
95%
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$200.00   $140.00
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25g
95%
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$905.00   $634.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0004HP
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
Computed 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  

Synonyms
 
3-Phenyl-1-propyne 
10147-11-2 
NGKSKVYWPINGLI-UHFFFAOYSA-N 
MFCD00134431 
3-Phenyl-1-propyne, 97%, stabilized 
Propargylbenzol 
Propargylbenzene 
benzyl acetylene 
3-phenyl-propyne 
3-phenyl-1-propyn 
prop-2-ynyl-benzene 
2-Propynylbenzene # 
(2-Propynyl)benzene 
ACMC-20amyz 
3-phenyl-prop-1-yne 
3-Phenyl-1-propyne (stabilised with BHT) 
1-Propyne, 3-phenyl- 
AC1LB3MT 
AC1Q285C 
AC1Q285D 
DTXSID00143941 
ZINC2504704 
AKOS015916347 
prop-2-ynylbenzene 
FS-4739 
TRA0062674 
SC-49394 
AB1003712 
TC-169442 
FT-0636640 
P1956 
J-000403 
I14-50108 
3-Phenyl-1-propyne, contains ca.250 ppm BHT as inhibitor, 97% 
Benzylacetylene 
InChI=1/C9H8/c1-2-6-9-7-4-3-5-8-9/h1,3-5,7-8H,6H 
null 
3-Cyclohexyl-1-propyne 
1-Propanesulfonyl chloride 
C9H8 
C9-H8 
KST-1A0348 
AR-1A2577 
CID575753 
3-Phenyl-1-propyne, 97%, stabilized - 1G 1g 
Benzene, (2-propynyl)- 
10155-49-4 
benzene, 2-propynyl- 
prop-2-yn-1-ylbenzene 
UNII-EU32H24A0A 
EU32H24A0A 
Literature

Title: Phenylpropargyl radicals and their dimerization products: an IR/UV double resonance study.

Journal: The journal of physical chemistry. A 20120823

Title: Sequential allenylidene/vinylidene cyclization for stereoselective construction of bicyclic carbocycles from propargyl alcohol.

Journal: Organic letters 20120803

Title: Syntheses of α-pyrones using gold-catalyzed coupling reactions.

Journal: Organic letters 20110603

Title: Photoionization of three isomers of the C9H7 radical.

Journal: The journal of physical chemistry. A 20100415

Title: Identification of the jet-cooled 1-indanyl radical by electronic spectroscopy.

Journal: The journal of physical chemistry. A 20090924

Title: Spectroscopic identification of the resonance-stabilized cis- and trans-1-vinylpropargyl radicals.

Journal: Journal of the American Chemical Society 20090923

Title: Laser-induced fluorescence and dispersed fluorescence spectroscopy of jet-cooled 1-phenylpropargyl radical.

Journal: The Journal of chemical physics 20090414

Title: Spectroscopic observation of the resonance-stabilized 1-phenylpropargyl radical.

Journal: Journal of the American Chemical Society 20080312

Title: Claisen rearrangement induced by low-energy collision of ESI-generated, protonated benzyloxy indoles.

Journal: Journal of mass spectrometry : JMS 20071201

Title: Reaction dynamics of phenyl radicals (C6H5, X2A') with methylacetylene (CH3CCH(X1A1)), allene (H2CCCH2(X1A1)), and their D4-isotopomers.

Journal: The journal of physical chemistry. A 20071115

Title: Photochemical and discharge-driven pathways to aromatic products from 1,3-butadiene.

Journal: The journal of physical chemistry. A 20071101

Title: Characterization of substituted polyacetylene microstructure by pyrolysis gas chromatography.

Journal: Journal of separation science 20070301

Title: [(NHC)AuI]-catalyzed formation of conjugated enones and enals: an experimental and computational study.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20070101

Title: Organometallic coordination polymers generated from bent Bis(acetylenylphenyl)oxadiazole ligands and Ag(I) salts.

Journal: Inorganic chemistry 20050919

Title: The Pd(4)(dppm)(4)(H)(2)(2+) cluster: a precatalyst for the homogeneous hydrogenation of alkynes.

Journal: Inorganic chemistry 20040126

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