フェニルアセチル クロリド
Phenylacetyl chloride
基本情報
- CAS
103-80-0- 標準SMILES
O=C(Cl)Cc1ccccc1- InChIKey
VMZCDNSFRSVYKQ-UHFFFAOYSA-N- 分子式
- C8H7ClO
- 平均分子量
- 154.59 g/mol
- 単同位体質量
- 154.01854252
概要
Phenylacetyl chloride appears as a colorless volatile liquid with a strong odor. Denser than water. Contact may severely irritate skin, eyes and mucous membranes. May be toxic by ingestion. May also be combustible.
名称と識別子
- 優先名称
- Phenylacetyl chloride
- IUPAC
- 2-phenylacetyl chloride
- 現地名
- フェニルアセチル クロリド
- 英語名
- Phenylacetyl chloride
- 分子式
- C8H7ClO
- 分子量
- 154.59
名称と別名
PHENYLACETYL CHLORIDEBenzeneacetyl chloride2-phenylacetyl chloridePhenacetyl chloridePhenylacetic acid chlorideAcetyl chloride, phenyl-UN2577PHENYLACETIC CHLORIDEEINECS 203-146-5UNII-T30899DRND.alpha.-Phenylacetyl chlorideCCRIS 8623
名称をさらに表示
フェニルアセチル クロリドフェニルアセチルクロリドフェニル酢酸クロライド塩化フェニルアセチルフェナセチルクロリドフェニルアセチルクロライド2-フェニルアセチル クロリド塩化フェナセチル2-フェニルアセチルクロリドベンゼン酢酸クロリドフェニル酢酸クロリドphenylacetyl-Toluylchloride-ToluylchlorideA-TOLUYL CHLORIDEAKOS BBS-00003909ylacetyl chloridePhenyl acetyl chlori
T30899DRNDAI3-23871DTXSID6059281UN 2577UN-2577alpha-Phenylacetyl chloride2Phenylacetyl chlorideCloruro de fenilacetilo
データベース識別子
- CAS
103-80-0- PubChem CID
- 7679
- DTXSID
DTXSID6059281- UNII
- T30899DRND
- EC Number
- 203-146-5
- Nikkaji
- J5.021K
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 116
実験および物理化学的性質
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Corrosives
SpringerMaterials PropertiesBoiling point
Physical Description
Phenylacetyl chloride appears as a colorless volatile liquid with a strong odor. Denser than water. Contact may severely irritate skin, eyes and mucous membranes. May be toxic by ingestion. May also be combustible.
Colorless liquid with a strong odor; [CAMEO] Clear light yellow liquid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- 264 · 264-266 °C(Solv: N,N-dimethylformamide (68-12-2))
- 沸点
- 94 · 94-95 °C/12 mmHg (lit.)
- 比重(密度)
- 1.169 g/mL · 1.169 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.5325(lit.)
- 闪点
- 217 °F · 217 °F
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- アルコールおよびエーテルと混和する。
- 外見
- clear liquid
- 色
- Colorless to Light yellow
- BRN
- 742254 · 742254
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 65 reports by companies from 7 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: Benzeneacetyl chloride
Status: Active Update: 05-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/20430
Phenylacetyl chloride: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Other Safety InformationIMAP assessments - Benzeneacetyl chloride: Human health tier I assessment
DOT LabelCorrosive
Fire Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Hazards Summary
Fumes in air; Decomposed by water evolving hydrogen chloride gas; May cause severe skin, eye, and mucous membrane irritation; [CAMEO] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Acetyl chloride.
化学と産業
用途と製造
UsesUsed in laboratories and to make esters for flavorings; [REPROTOX]
General Manufacturing InformationBenzeneacetyl chloride: ACTIVE
応用分野
使用Phenylacetyl chloride is used in the preparation of 1,2-diphenyl-ethanone by reaction with iodobenzene using tetrabutylammonium tetrafluoroborate as a phase transfer catalyst. It is widely used in the chemical industry for manufacturing dyes and pharmaceutical products. It plays an important role in the preparation of penicillin. Further, it is used to prepare esters for flavorings.
一般的な説明A colorless volatile liquid with a strong odor. Denser than water. Contact may severely irritate skin, eyes and mucous membranes. May be toxic by ingestion. May also be combustible.
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