2-Chlorobenzoyl chloride
O-CHLOROBENZOYL CHLORIDE · OCOC · o-ChL · SKL750 · orobenzoyL · o-Chlorobenzoylchlor · chlorobenzoylchloride · o-Chlorbenzoylchlorid
식별자 및 물리적 특성
| CAS No. | 1321-03-5 |
|---|---|
| 분자식 | C7H4Cl2O |
| 평균 분자량 | 175.01 g/mol |
| 단동위원소 질량 | 173.96392011 g/mol |
| SMILES | O=C(Cl)c1ccccc1Cl |
| InChIKey | ONIKNECPXCLUHT-UHFFFAOYSA-N |
| PubChem CID | 69110 |
| ChEBI | CHEBI:60719 |
| EC No. | 210-194-0 |
| DTXSID | DTXSID9060572 |
화학 및 물리적 성질
| XLogP | 3 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 136 |
| 물질 분류 | Toxic Gases & Vapors -> Acid Halides |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Colorless liquid with an acrid odor[Alfa Aesar MSDS] |
| 녹는점 | -4--3 °C (lit.) |
| 끓는 점 | 238 °C (lit.) |
| 밀도 | 1.382 g/mL at 25 °C (lit.) |
| 증기압 | 0.1 hPa (20 °C) |
| 굴절률 | n20/D 1.572(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 액체 |
| 색상 | 투명하고 무색에서 아주 약간 노란색을 띤다. |
| 폭발한계 | 1.5-9.4%(V) |
| 용해도 | 아세톤, 에테르, 알코올에 용해됩니다. 물에 용해되면 분해됩니다. |
| BRN | 386435 |
| InChI | 1S/C7H4Cl2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H |
| InChIKey | ONIKNECPXCLUHT-UHFFFAOYSA-N |
| SMILES | ClC(=O)c1ccccc1Cl |
| NIST | Benzoyl chloride, 2-chloro-(609-65-4) |
| EPA | Benzoyl chloride, 2-chloro- (609-65-4) |
화학적 성질
clear colourless to very slightly yellow liquid
안전 및 규제
| GHS 분류 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Benzoyl chloride, 2-chloro-Status: Active Update: 28-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/239482-Chlorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Reacts violently with waterCauses burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] See Benzoyl chloride. |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3265 8/PG 2 |
| 독성 | LD50 orally in Rabbit: 3250 mg/kg |
| 관세 코드 | 29163900 |
| 위험 문구(R) | 34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45-28A |
| 포장분류 | II |
| 위험 등급 | 8Eye Dam. 1Skin Corr. 1B |
| 기존화학 물질 | KE-05541 |
| F 고인화성물질 | 19-21 |
| 위험 참고 사항 | Corrosive/Moisture Sensitive |
| 자연 발화 온도 | 600 °C |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
2-Chlorobenzoyl chloride, is used in organic synthesis. It is used as a pharmaceutical intermediate for eg as an intermediate of clotrimazolc, preparation of p-chlorobenzoic acid and production of trichloro-acaricide.
일반 설명
2-Chlorobenzoyl chloride reacts with aromatic amines and ammonium thiocyanate using polyethylene glycol-400 as the catalyst under the condition of solid-liquid phase-transfer catalysis to form N-aryl-N′(2-chlorobenzoyl) thioureas. 2-Chlorobenzoyl chloride causes the acylation of polystyrene during the preparation and regeneration of the polystyrene-based resin.