1-Phenyl-1-propyne - ≥98%(GC) , CAS No.673-32-5

CAS: 673-32-5 Cat. No.: P141240 Molecular Weight: 116.16 Beilstein Registry Number: 5514 EC Number: 211-607-7 PubChem CID: 69601

GRADE & PURITY ≥98%(GC)

Synonyms

ghl.PD_Mitscher_leg0.471 | 1-Phenyl-1-propyne, 99% | 1-Propynylbenzene | D71012 | 1-Methyl-2-phenylacetylene | 1-penyl-1-propine | MFCD00009272 | P0219 | 1-Phenylpropyne | 448376BFQC | Prop-1-ynylbenzene | Prop-1-ynyl-benzene | SY048557 | DTXSID10217667 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Product Application:

1-Phenyl-1-propyne is used as a intermediate for phrama industry and chemical research.

Specifications

Synonyms

ghl.PD_Mitscher_leg0.471 | 1-Phenyl-1-propyne, 99% | 1-Propynylbenzene | D71012 | 1-Methyl-2-phenylacetylene | 1-penyl-1-propine | MFCD00009272 | P0219 | 1-Phenylpropyne | 448376BFQC | Prop-1-ynylbenzene | Prop-1-ynyl-benzene | SY048557 | DTXSID10217667 |

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488184369
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184369
• Canonical Smiles: CC#CC1=CC=CC=C1
• IUPAC Name: prop-1-ynylbenzene
• InChIKey: GHUURDQYRGVEHX-UHFFFAOYSA-N
• INCHI: 1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H3
• Isomeric SMILES: CC#CC1=CC=CC=C1
• WGK Germany: 3
• PubChem CID: 69601
• Molecular Weight: 116.16
• Beilstein: 5514
• Reaxy-Rn: 1071474

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

DBH Tchem Dopamine beta-hydroxylase (131 Activities)

Discover Target: DBH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Sparingly soluble in water (0.26 g/L) (25°C).
• Sensitivity: Light & Air sensitive
• Refractive Index: 1.563-1.565
• Flash Point(°F): 143°F
• Flash Point(°C): 62°C
• Boil Point(°C): 185 °C
• Molecular Weight: 116.160 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 116.063 Da
• Monoisotopic Mass: 116.063 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 127.000
• 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

References

1. Lingqi Huang, Kecheng Hu, Ganggang Ye, Zhibin Ye.  (2021)  Highly selective semi-hydrogenation of alkynes with a Pd nanocatalyst modified with sulfide-based solid-phase ligands.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2021.111535]