Benzylacetylene (HCID 575753)

名称と識別子

優先名称: Benzylacetylene
IUPAC: prop-2-ynylbenzene
現地名: (2-プロピニル)ベンゼン
英語名: 3-PHENYL-1-PROPYNE
分子式: C9H8
分子量: 116.16

名称と別名

3-Phenyl-1-propyne10147-11-2Propargylbenzeneprop-2-yn-1-ylbenzene(2-Propynyl)benzeneBenzylacetylene3-phenylpropyneBenzene, (2-propynyl)-benzene, 2-propynyl-EU32H24A0APROPYNE, 3-PHENYL-DTXSID00143941

名称をさらに表示

3-フェニル-1-プロピン1-フェニル-2-プロピンプロパルギルベンゼン(2-プロピニル)ベンゼンベンジルアセチレン3-フェニル-1-プロピン (STABILISED WITH BHT)3-PHENYL-1-PROPYNE 97%3-benzene-1-propargyneBenzene, 2-propyn-1-yl-3-Phenyl-1-propyne, 97%, stab.

RefChem:566928DTXCID2066432629-124-9InChI=1/C9H8/c1-2-6-9-7-4-3-5-8-9/h1,3-5,7-8H,6Hprop-2-ynylbenzeneMFCD00134431(prop-2-yn-1-yl)benzene3-Phenyl-1-propyne (stabilised with BHT)

データベース識別子

CAS: 10147-11-2
PubChem CID: 575753
DTXSID: DTXSID00143941
UNII: EU32H24A0A
EC Number: 629-124-9
Nikkaji: J371.303B

物性

構造計算による物性

XLogP: 2.9
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 109

実験および物理化学的性質

SpringerMaterials PropertiesDensity

物理化学的性質

沸点: 75 °C20 · 75 °C20 mm Hg(lit.)
比重(密度): 0.934 g/mL · 0.934 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.526(lit.)
闪点: 126 °F · 126 °F
貯蔵温度: Flammables area
溶解性: Chloroform (Sparingly), DMSO (Slightly)
外見: 液体
比重: 0.934 · 0.934
色: 無色透明～黄色
安定性: Volatile
InChI: 1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h1,3-5,7-8H,6H2
InChIKey: NGKSKVYWPINGLI-UHFFFAOYSA-N
SMILES: C#CCc1ccccc1
CAS データベース: 10147 · 10147-11-2

化学的性質

化学的特性Clear colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (91.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (91.3%)

安全データ

wgk: 3
ridadr: UN 3295 3/PG 3
hs_code: 29029090
risk_code: 10-36/37/38
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 16-26-36/37/39-37/39
hazard_class: 3.2
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 2 件

使用3-Phenyl-1-propyne is used as a starting material in the synthesis of 4-phenyl-2-butyn-1-ol. It is also used in the preparation of beta-hydroxytriazoles and indoles.

一般的な説明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.