≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
1-Phenyl-1-butyne is a phenyl alkyl acetylenic compound. It′s reaction with alkali metals (sodium, potassium) in various solvents is reported.Palladium particles incorporated into organophilic montmorillonite catalyzed liquid-phase hydrogenation of 1-phenyl-1-butyne is reported.Copolymerization of C60 and 1-phenyl-1-butyne is reported.
1-Phenyl-1-butyne was used to investigate the liquid-phase stereoselective hydrogenation of phenyl alkyl acetylenics at 298K and atmospheric pressure on Pd-supported catalysts.
| Pubchem Sid | 488184292 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184292 |
| Canonical Smiles | CCC#CC1=CC=CC=C1 |
| IUPAC Name | but-1-ynylbenzene |
| InChIKey | FFFMSANAQQVUJA-UHFFFAOYSA-N |
| INCHI | 1S/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2H2,1H3 |
| Isomeric SMILES | CCC#CC1=CC=CC=C1 |
| WGK Germany | 3 |
| Molecular Weight | 130.19 |
| Reaxy-Rn | 1903397 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903397&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Aromatic hydrocarbons Acetylenes |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
| Refractive Index | 1.55-1.552 |
|---|---|
| Flash Point(°F) | 156.2 °F |
| Flash Point(°C) | 68 °C |
| Boil Point(°C) | 73-75°C |
| Molecular Weight | 130.190 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 130.078 Da |
| Monoisotopic Mass | 130.078 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 138.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Xiaojuan Liu, Qingqing Wen, Li Xiang, Xuebing Leng, Yaofeng Chen. (2020) Samarium(II) Monoalkyl Complex Supported by a β-Diketiminato-Based Tetradentate Ligand: Synthesis, Structure, and Catalytic Hydrosilylation of Internal Alkynes. CHEMISTRY-A EUROPEAN JOURNAL, 26 (24): (5494-5499). [PMID:32157760] [10.1002/chem.202000342] |
E2113384