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
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About This Item
Linear Formula:
C6H5CH2C≡CH
CAS Number:
Molecular Weight:
116.16
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Form:
liquid
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
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
Regulatory Information
危险化学品
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Neil J Reilly et al.
The Journal of chemical physics, 130(14), 144313-144313 (2009-04-17)
The D(1)((2)A("))-D(0)((2)A(")) electronic transition of the resonance-stabilized 1-phenylpropargyl radical, produced in a jet-cooled discharge of 3-phenyl-1-propyne, has been investigated in detail by laser-induced fluorescence excitation and dispersed single vibronic level fluorescence (SVLF) spectroscopy.The transition is dominated by the origin band
Zinc-promoted hydrohydrazination of terminal alkynes: an efficient domino synthesis of indoles.
Karolin Alex et al.
Angewandte Chemie (International ed. in English), 47(12), 2304-2307 (2008-02-12)
Yalin Zhang et al.
Bioorganic & medicinal chemistry, 12(14), 3847-3855 (2004-06-24)
The methionine salvage pathway allows the in vivo recovery of the methylthio moiety of methionine upon the formation of methylthioadenosine (MTA) from S-adenosylmethionine (SAM). The Fe(II)-containing form of acireductone dioxygenase (ARD) catalyzes the penultimate step in the pathway in Klebsiella
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 474401-25ML | 04061837407758 |
| 376841-5G | 04061838090485 |
| 376841-1G | 04061831835335 |