376841

3-Phenyl-1-propyne

contains ca.250 ppm BHT as inhibitor, 97%

• Synonym(s): 1-Phenyl-2-propyne, 2-Propyn-1-ylbenzene, 2-Propynylbenzene, 3-Phenylpropyne, Benzylacetylene, Propargylbenzene
• Linear Formula: C₆H₅CH₂C≡CH
• CAS Number: 10147-11-2
• Molecular Weight: 116.16
• MDL number: MFCD00134431
• UNSPSC Code: 12352100
• PubChem Substance ID: 24863470
• NACRES: NA.22

Properties

• assay: 97%
• form: liquid
• contains: ca.250 ppm BHT as inhibitor
• refractive index: n20/D 1.526 (lit.)
• bp: 75 °C/20 mmHg (lit.)
• density: 0.934 g/mL at 25 °C (lit.)
• SMILES string: C#CCc1ccccc1
• InChI: 1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h1,3-5,7-8H,6H2
• InChI key: NGKSKVYWPINGLI-UHFFFAOYSA-N

Description

General description

3-Phenyl-1-propyne is a 3-aryl-1-propyne. The electronic transition of the resonance-stabilized 1-phenylpropargyl radical, produced in a jet-cooled discharge of 3-phenyl-1-propyne, has been studied by laser-induced fluorescence excitation and dispersed single vibronic level fluorescence (SVLF) spectroscopy. The microwave rotational spectrum of 3-phenyl-1-propyne (propargyl benzene) has been studied and its stable conformation is reported to have coplanar carbon atoms. Reaction of N-methyl-N-phenylhydrazine or N-phenylhydrazine with 3-phenyl-1-propyne is reported to yield indoles. 3-Phenyl-1-propyne is reported to react with styrene oxide and sodium azide, to afford β-hydroxytriazoles.

Application

3-Phenyl-1-propyne may be used as starting reagent in the synthesis of 4-phenyl-2-butyn-1-ol.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H315,H319,H335
• pcodes: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 125.6 °F - closed cup
• flash_point_c: 52 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter