1-フェニル-1-ブチン

1-Butynylbenzene

HCID 69328CAS 622-76-4

部分構造検索類似構造を探す

基本情報

標準SMILES: CCC#Cc1ccccc1
InChIKey: FFFMSANAQQVUJA-UHFFFAOYSA-N
分子式: C10H10
平均分子量: 130.19 g/mol
単同位体質量: 130.07825032

名称と識別子

優先名称: 1-Butynylbenzene
IUPAC: but-1-ynylbenzene
現地名: 1-フェニル-1-ブチン
英語名: 1-Phenyl-1-butyne
分子式: C10H10
分子量: 130.19

名称と別名

1-Phenyl-1-butyne622-76-41-ButynylbenzeneBenzene, 1-butynyl-1-Butyne, 1-phenyl-1-Ethyl-2-phenylacetyleneEINECS 210-752-3EthylphenylacetylenePhenylethylacetyleneDTXSID30211243RefChem:75287DTXCID30133734

名称をさらに表示

1-フェニル-1-ブチン1-エチル-2-フェニルアセチレン(1-ブタジイニル)ベンゼン1-ブチニルベンゼン(1-ブチニル)ベンゼン1-(1-ブチニル)ベンゼン(ブタ-1-イン-1-イル)ベンゼンC6H5C≡CC2H5but-1-ynyl-benzene1-Butyn-1-ylbenzene1-(1-Butynyl)benzene1-Phenyl-1-butyne>

210-752-3FFFMSANAQQVUJA-UHFFFAOYSA-NInChI=1/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2H2,1Hbut-1-ynylbenzenebut-1-yn-1-ylbenzeneBenzene, 3-butyn-1-yl-MFCD0003994583585-27-7

データベース識別子

CAS: 622-76-4
PubChem CID: 69328
DTXSID: DTXSID30211243
EC Number: 210-752-3
Nikkaji: J79.758H

物性

構造計算による物性

XLogP: 3.1
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: 10
形式電荷: 0
複雑度: 138

実験および物理化学的性質

Kovats Retention Index · 2 件

1118；1129；1132.8；1132.3

191.4

物理化学的性質

沸点: 73 · 73-75 °C/4 mmHg (lit.)
比重(密度): 0.916 g/mL · 0.916 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.551(lit.)
闪点: 156 °F · 156 °F
貯蔵温度: Store at room temperature
外見: clear liquid
色: Colorless to Yellow to Green
BRN: 1903397 · 1903397
InChI: 1S/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2H2,1H3
InChIKey: FFFMSANAQQVUJA-UHFFFAOYSA-N
SMILES: CCC#Cc1ccccc1
CAS データベース: 622 · 622-76-4(CAS DataBase Reference)

化学的性質

化学的特性Clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)

安全データ

wgk: 3
hs_code: 29029090
risk_code: 36/37/38
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 26-36/37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用1-Phenyl-1-butyne was used to investigate the liquid-phase stereoselective hydrogenation of phenyl alkyl acetylenics at 298K and atmospheric pressure on Pd-supported catalysts.

一般的な説明1-Phenyl-1-butyne is a phenyl alkyl acetylenic compound. It′s reaction with alkali metals (sodium, potassium) in various solvents is reported. Palladium particles incorporated into organophilic montmorillonite catalyzed liquid-phase hydrogenation of 1-phenyl-1-butyne is reported. Copolymerization of C60 and 1-phenyl-1-butyne is reported.

上流・下流製品情報

上流原料

1-ブチンエチニルベンゼンヨードベンゼンヨウ化エチル

下流製品

2-bromobutyrophenone 3-ヘキシン

サプライヤー50 社

上海康恩博医药科技有限公司17510465506 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]