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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
識別子と物理属性
| CAS No. | 103-80-0 |
|---|---|
| 分子式 | C8H7ClO |
| 平均分子量 | 154.59 g/mol |
| 単同位体質量 | 154.01854252 g/mol |
| SMILES | O=C(Cl)Cc1ccccc1 |
| InChIKey | VMZCDNSFRSVYKQ-UHFFFAOYSA-N |
| PubChem CID | 7679 |
| EC No. | 203-146-5 |
| DTXSID | DTXSID6059281 |
| 現地名 | フェニルアセチル クロリド |
化学・物理的性質
| XLogP | 2.4 |
|---|---|
| 極性表面積 | 17.1 |
| 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 |
| 物質分類 | Toxic Gases & Vapors -> Acid HalidesCorrosives |
| SpringerMaterials Properties | Boiling 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] |
| 融点 | 264-266 °C(Solv: N,N-dimethylformamide (68-12-2)) |
| 沸点 | 94-95 °C/12 mmHg (lit.) |
| 密度 | 1.169 g/mL at 25 °C (lit.) |
| 屈折率 | n20/D 1.5325(lit.) |
| 引火点 | 217 °F |
| 貯蔵条件 | 2-8°C |
| 溶解度 | アルコールおよびエーテルと混和する。 |
| 外観・状態 | clear liquid |
| 色 | Colorless to Light yellow |
| BRN | 742254 |
| 安定性 | 安定。水と反応する。アミン、最も一般的な金属、湿気、強力な酸化剤とは相容れない。 |
| InChI | 1S/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | VMZCDNSFRSVYKQ-UHFFFAOYSA-N |
| SMILES | ClC(=O)Cc1ccccc1 |
| LogP（分配係数） | 1.628 (est) |
| CAS データベース | 103-80-0(CAS DataBase Reference) |
| NISTの化学物質情報 | Benzeneacetyl chloride(103-80-0) |
| EPAの化学物質情報 | Benzeneacetyl chloride (103-80-0) |
化学的特性
colourless liquid
安全性と法規制
| GHS 分類 | DangerH314 (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. |
|---|---|
| 規制情報 | Chemical: Benzeneacetyl chlorideStatus: Active Update: 05-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/20430Phenylacetyl chloride: Does not have an individual approval but may be used under an appropriate group standardThe 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.) |
| その他の安全情報 | IMAP assessments - Benzeneacetyl chloride: Human health tier I assessment |
| 輸送ラベル（DOT） | Corrosive |
| 火災危険 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:· Combustible material: may burn but does not ignite readily. |
| 健康有害性 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:· TOXIC and/or CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. |
| 有害性の概要 | Fumes in airDecomposed by water evolving hydrogen chloride gasMay cause severe skin, eye, and mucous membrane irritation[CAMEO] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Sigma-Aldrich MSDS] See Acetyl chloride. |
| 輸送番号・ガイド（DOT） | 2577 156 |
| 反応性グループ | Acyl Halides, Sulfonyl Halides, and Chloroformates |
| Reactivity Alerts | Water-Reactive |
| Reactivity Profile | PHENYLACETYL CHLORIDE is incompatible with strong oxidizing agents, alcohols, bases (including amines). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291]. |
| DOT Hazard Classification | Phenylacetyl chlorideUN2577Class 8 Corrosive material (49 eCFR § 173.136)PG II: the degree of danger presented by the material is medium |
| Air and Water Reactions | Soluble in water. Fumes in air. Decomposes in water or steam to form very corrosive hydrogen chloride gas. |
| 消火 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| 漏出応急措置 | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| 応急処置 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:General First Aid: |
| 暴露管理・個人防護 | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| 非火災時の漏出対応 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:Immediate precautionary measure |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| Emergency Response Planning Guidelines | · Note: Most foams will react with the material and release corrosive/toxic gases. |
| 有害作用 | Dermatotoxin - Skin burns. |
| F | 21 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | UN 2577 |
| 税関コード | 29163900 |
| 危険文句（R） | 34-37-14 |
| 化審法 | (3)-1722 |
| 消防法 | 危-4-3-III |
| 危険表示 | C |
| 安全措置（S） | 26-36/37/39-45-25-27 |
| 危険等級 | 8Eye Dam. 1Met. Corr. 1Skin Corr. 1BSTOT SE 3 |
| 包装等級 | II |
| 貯蔵分類 | 8A - Combustible corrosive hazardous materials |
用途
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.