1-エチル-3-ビニルベンゼン

3-Ethylstyrene

HCID 24143

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 7525-62-4
標準SMILES: C=Cc1cccc(CC)c1
InChIKey: XHUZSRRCICJJCN-UHFFFAOYSA-N
分子式: C10H12
平均分子量: 132.2 g/mol
単同位体質量: 132.09390038

名称と識別子

優先名称: 3-Ethylstyrene
IUPAC: 1-ethenyl-3-ethylbenzene
現地名: 1-エチル-3-ビニルベンゼン
英語名: 3-ethylstyrene
分子式: C10H12
分子量: 132.2

名称と別名

3-EthylstyreneStyrene, m-ethyl-m-Ethylvinylbenzenem-Ethyl vinylbenzen1-Vinyl-3-ethylbenzenem-Vinylethylbenzene3-Vinylethylbenzene3-Ethyl-1-vinylbenzeneBRN 1920912EINECS 231-386-0HK9E3K25SAETHYLSTYRENE, M-

名称をさらに表示

1-エチル-3-ビニルベンゼン3-エチル-1-ビニルベンゼン1-エテニル-3-エチルベンゼン3-エチルスチレンm-エチルスチレン1-ビニル-3-エチルベンゼンSKL7341-ethyl-3-vinylbenzene

UNII-HK9E3K25SA3-05-00-01217 (Beilstein Handbook Reference)RefChem:6759231-386-07525-62-41-ethenyl-3-ethylbenzeneBenzene, 1-ethenyl-3-ethyl-M-ETHYLSTYRENE

データベース識別子

CAS: 7525-62-4
PubChem CID: 24143
DTXSID: DTXSID7075266
UNII: HK9E3K25SA
EC Number: 231-386-0
Nikkaji: J43.382I

物性

構造計算による物性

XLogP: 3.5
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: 2
重原子数: 10
形式電荷: 0
複雑度: 105

実験および物理化学的性質

Kovats Retention Index · 3 件

1074；1075；1065.8；1066；1074；1063.9；1064.4；1066；1066

178.3；180.1

1423.7；1424

物理化学的性質

融点: -101.3 °C · -101.3°C
沸点: 191.51 °C · 191.51°C
比重(密度): 0.8904 · 0.8904
屈折率: 1.5325 · 1.5325
EPAの化学物質情報: 1 · Benzene, 1-ethenyl-3-ethyl- (7525-62-4)

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]；H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P331, 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 2 reports by companies from 2 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.

Not Classified

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (50%)；Asp. Tox. 1 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H226

化学と産業

応用分野

使用1-Ethenyl-3-ethylbenzene is used in preparation of em-Dichlorocyclopropane and 1,3-Dioxane derivatives from Divinylbenzene.

サプライヤー19 社

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化合物ノート

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