基本情報
- CAS
26968-58-1- 標準SMILES
CCc1ccccc1CCl- InChIKey
MZMVVHAHSRJOEO-UHFFFAOYSA-N- 分子式
- C9H11Cl
- 平均分子量
- 154.63 g/mol
- 単同位体質量
- 154.054928
概要
Ethylbenzyl chloride appears as a colorless to pale-colored liquid with a pungent odor. Insoluble in water and slightly denser than water. May irritate skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
名称と識別子
- 優先名称
- Ethylbenzyl chloride
- IUPAC
- 1-(chloromethyl)-2-ethylbenzene
- 現地名
- エチルベンジルクロライド
- 英語名
- Ethylbenzyl chloride
- 分子式
- C9H11Cl
- 分子量
- 154.64
名称と別名
(Chloromethyl)ethylbenzeneBenzene, (chloromethyl)ethyl-Toluene, alpha-chloro-ar-ethyl-EINECS 248-148-7RefChem:596566DTXSID20279171-CHLOROMETHYLETHYLBENZENETOLUENE, ALPHA-CHLOROETHYL-ETHYLBENZYL CHLORIDE (CORROSIVE LIQUIDS, N.O.S.)248-148-7ETHYLBENZYL CHLORIDE1-(chloromethyl)-2-ethylbenzene
名称をさらに表示
エチルベンジルクロリドα-クロロ-ar-エチルトルエン(クロロメチル)エチルベンゼンエチルベンジルクロライドETHYL BENZYL CHLORIDE4-ETHYLBENZYL CHLORIDEEthyl Benzyl ChloridesP-ETHYLBENZYL CHLORIDEα-Chloro-ar-ethyltoluene(chloromethyl)ethyl-benzenEthylbenzyl Chloride (EBC)Toluene, a-chloro-ar-ethyl-(chloromethyl)ethyl-benzeneBenzene,(chloromethyl)ethyl
1467-06-7Benzene, 1-(chloromethyl)-2-ethyl-Benzene, 1-(chloromethyl)-2-ethylSCHEMBL6072591-chloromethyl-2-ethyl-benzeneN46EY2T74FSCHEMBL1005334SCHEMBL2835726
物性
構造計算による物性
- XLogP
- 3.1
- 極性表面積
- 0 Ų
- 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
- 90.7
実験および物理化学的性質
Physical Description
Ethylbenzyl chloride appears as a colorless to pale-colored liquid with a pungent odor. Insoluble in water and slightly denser than water. May irritate skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Liquid
物理化学的性質
- 融点
- -21 °C · -21 °C
- 沸点
- 111 °C · 111 °C
- CAS データベース
- 26968 · 26968-58-1(CAS DataBase Reference)
- EPAの化学物質情報
- Ethylbenzyl chloride (26968-58-1)
化学的性質
化学的特性Colorless liquid.Soluble in alcohols; insoluble in water.
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H290 (14.3%): May be corrosive to metals [Warning Corrosive to Metals]
P203, P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Benzene, (chloromethyl)ethyl-
Benzene, (chloromethyl)ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, (chloromethyl)ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
DOT LabelCombustible Liquid
Fire HazardsCombustible Material. (NOAA, 2008)
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Reactive GroupHalogenated Organic Compounds
Reactivity ProfileETHYLBENZYL CHLORIDE is moderately reactive. Incompatible with strong oxidizing and reducing agents. Also incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
Air and Water ReactionsInsoluble in water.
化学と産業
用途と製造
U.S. Production2023: 1,000,000 - <2,500,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzene, (chloromethyl)ethyl-: ACTIVE
応用分野
使用Intermediate.
一般的な説明A colorless to pale-colored liquid with a pungent odor. Insoluble in water and slightly denser than water. May irritate skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
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