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About This Item
Linear Formula:
C6H5CH2C≡CH
CAS Number:
Molecular Weight:
116.16
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Quality Level
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.)
functional group
phenyl
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
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
125.6 °F - closed cup
Flash Point(C)
52 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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