U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H8
Molecular Weight 116.1598
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-PHENYL-1-PROPYNE

SMILES

CC#CC1=CC=CC=C1

InChI

InChIKey=GHUURDQYRGVEHX-UHFFFAOYSA-N
InChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Ab initio/RRKM-ME study on the mechanism and kinetics of the reaction of phenyl radical with 1,2-butadiene.
2010-07-29
Photoionization of three isomers of the C9H7 radical.
2010-04-15
Reaction dynamics of phenyl radicals in extreme environments: a crossed molecular beam study.
2009-02-17
Cross-coupling reaction of alkyl halides with grignard reagents catalyzed by Ni, Pd, or Cu complexes with pi-carbon ligand(s).
2008-11-18
1-Phenyl-1-propyne on Cu(111): TOFMS TPD, XPS, UPS, and 2PPE Studies.
2007-11-20
Copper-catalyzed cross-coupling reaction of grignard reagents with primary-alkyl halides: remarkable effect of 1-phenylpropyne.
2007
Reactivity of alkynes containing alpha-hydrogen atoms with a triruthenium hydrido carbonyl cluster: alkenyl versus allyl cluster derivatives.
2005-10-07
[Ind(2)TiMe(2)]: a general catalyst for the intermolecular hydroamination of alkynes.
2004-06-21
The concerted addition of HBr to aryl alkynes; orthogonal pi bond selectivity.
2003-06-21
Regiochemical variation in the electrophilic addition of HBr to 1-phenylprop-1-yne.
2003-06-21
Cp*(2)TiMe(2): an improved catalyst for the intermolecular addition of n-alkyl- and benzylamines to alkynes.
2002-03-22
Patents
Name Type Language
1-PHENYL-1-PROPYNE
Preferred Name English
Code System Code Type Description
MESH
C043843
Created by admin on Mon Mar 31 19:00:48 GMT 2025 , Edited by admin on Mon Mar 31 19:00:48 GMT 2025
PRIMARY
EPA CompTox
DTXSID10217667
Created by admin on Mon Mar 31 19:00:48 GMT 2025 , Edited by admin on Mon Mar 31 19:00:48 GMT 2025
PRIMARY
FDA UNII
448376BFQC
Created by admin on Mon Mar 31 19:00:48 GMT 2025 , Edited by admin on Mon Mar 31 19:00:48 GMT 2025
PRIMARY
CAS
673-32-5
Created by admin on Mon Mar 31 19:00:48 GMT 2025 , Edited by admin on Mon Mar 31 19:00:48 GMT 2025
PRIMARY
ECHA (EC/EINECS)
211-607-7
Created by admin on Mon Mar 31 19:00:48 GMT 2025 , Edited by admin on Mon Mar 31 19:00:48 GMT 2025
PRIMARY
PUBCHEM
69601
Created by admin on Mon Mar 31 19:00:48 GMT 2025 , Edited by admin on Mon Mar 31 19:00:48 GMT 2025
PRIMARY