Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
페닐초산클로라이드
페닐아세틸염화물 · 페닐초산클로라이드 · phenylacetyl · Benzeneacetyl chloride · PHENYLACETIC ACID CHLORIDE · -Toluylchloride · A-TOLUYL CHLORIDE · AKOS BBS-00003909
식별자 및 물리적 특성
| CAS No. | 103-80-0 |
|---|---|
| 분자식 | C8H7ClO |
| 평균 분자량 | 154.59 g/mol |
| 단동위원소 질량 | 154.01854252 g/mol |
| SMILES | O=C(Cl)Cc1ccccc1 |
| InChIKey | VMZCDNSFRSVYKQ-UHFFFAOYSA-N |
| PubChem CID | 7679 |
| EC No. | 203-146-5 |
| DTXSID | DTXSID6059281 |
| 현지명 | 페닐초산클로라이드 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 116 |
| 물질 분류 | 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] |
| 녹는점 | 264-266 °C(Solv: N,N-dimethylformamide (68-12-2)) |
| 끓는 점 | 94-95 °C/12 mmHg (lit.) |
| 밀도 | 1.169 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.5325(lit.) |
| 인화점 | 217 °F |
| 저장 조건 | 2-8°C |
| 용해도 | 알코올 및 에테르와 혼합 가능. |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색~연황색 |
| BRN | 742254 |
| 안정성 | 안정적인. 물과 반응합니다. 아민, 가장 일반적인 금속, 습기, 강한 산화제와 호환되지 않습니다. |
| 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(분배 계수) | 1.628 (est) |
| NIST | Benzeneacetyl chloride(103-80-0) |
| EPA | Benzeneacetyl chloride (103-80-0) |
화학적 성질
colourless liquid
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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.) |
| 기타 안전 정보 | IMAP assessments - Benzeneacetyl chloride: Human health tier I assessment |
| 운송 라벨(DOT) | Corrosive |
| 화재 위험 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:· Combustible material: may burn but does not ignite readily. |
| 건강 유해성 | 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. |
| 유해성 요약 | 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. |
| 운송 번호 및 가이드(DOT) | 2577 156 |
| 반응성 그룹 | 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. |
| 소화 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| 누출 비상 조치 | · 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. |
| 응급 처치 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:General First Aid: |
| 노출 관리 및 개인 보호 | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| 비화재 누출 대응 | 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. |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 2577 |
| 관세 코드 | 29163900 |
| 위험 문구(R) | 34-37-14 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45-25-27 |
| 포장분류 | II |
| 위험 등급 | 8Eye Dam. 1Met. Corr. 1Skin Corr. 1BSTOT SE 3 |
| 기존화학 물질 | KE-28269 |
| F 고인화성물질 | 21 |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
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.
일반 설명
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.