Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-클로로벤젠설포닐 염화물
4-클로로벤젠설포닐염화물 · 4-클로로벤젠설포닐클로라이드 · 4-CHLOROBENZENE-1-SULFONYL CHLORIDE · CHLOROBENZENESULFONYL CHLORIDE · 4-Chlorobenzene · 4-Chlorobenzenesulfo · p-Chlorbenzensulfochlorid · p-Chlorobenzenesulfochloride
식별자 및 물리적 특성
| CAS No. | 98-60-2 |
|---|---|
| 분자식 | C6H4Cl2O2S |
| 평균 분자량 | 211.06 g/mol |
| 단동위원소 질량 | 209.93090573 g/mol |
| SMILES | O=S(=O)(Cl)c1ccc(Cl)cc1 |
| InChIKey | ZLYBFBAHAQEEQQ-UHFFFAOYSA-N |
| PubChem CID | 7398 |
| EC No. | 202-685-3 |
| DTXSID | DTXSID4059174 |
| 현지명 | 4-클로로벤젠설포닐 염화물 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 42.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 211 |
| 물질 분류 | Toxic Gases & Vapors -> Acid Halides |
| SpringerMaterials Properties | Crystal structure |
| Color/Form | PRISMS OR PLATES FROM ETHER |
| 용해도 | VERY SOL IN ETHER & BENZENE톨루엔에 용해됨 |
| 끓는 점 | 141 °C @ 15 MM HG141 °C/15 mmHg (lit.) |
| 녹는점 | 55 °C50-52 °C (lit.) |
| 증기압 | 0.00117 [mmHg] |
| Physical Description | White solid[CHEMINFO] |
| Other Experimental Properties | DECOMP IN HOT WATER & HOT ALCOHOL |
| 밀도 | 1.5075 (estimate) |
| 인화점 | 226 °F |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
| 물리적 상태 | 액체 |
| 색상 | 투명한 |
| 용해도 | 불용성 |
| BRN | 511583 |
| InChI | InChI=1S/C6H4Cl2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H |
| InChIKey | ZLYBFBAHAQEEQQ-UHFFFAOYSA-N |
| SMILES | C1(S(Cl)(=O)=O)=CC=C(Cl)C=C1 |
| NIST | 4-Chlorobenzenesulfonyl chloride(98-60-2) |
| EPA | Benzenesulfonyl chloride, 4-chloro- (98-60-2) |
화학적 성질
white to light yellow crystals, powder or flakes
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 97 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 18-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/115304-Chlorobenzenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Decomposes in waterA severe eye and moderate skin irritant based on animal studies[CHEMINFO] Reacts violently with waterA corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause edema and chemical pneumonitis[MSDSonline] |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DB8925000 |
| 운송 번호(UN) | UN 3261 8/PG 2 |
| 관세 코드 | 29049020 |
| 위험 문구(R) | 34-37 |
| 위험 표시 | C |
| 안전 문구(S) | 26-28-36/37/39-45 |
| 포장분류 | II |
| 위험 등급 | 8Eye Dam. 1Skin Corr. 1B |
| 기존화학 물질 | KE-05532 |
| F 고인화성물질 | 21 |
| 위험 참고 사항 | Corrosive |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
| 유해 물질 데이터 | 98-60-2(Hazardous Substances Data) |
용도
용도
4-Chlorobenzenesulfonyl chloride was used in the synthesis of precursors for the 3,4-pyridyne generation.
제조 및 합성 방법
생산 방법
4-Chlorobenzenesulfonyl chloride is manufactured by mixing 4-chlorobenzene and chlorosulfuric acid at 35 ℃, heating for two hours at 80 ℃, and discharging the contents of the reactor into ice water; yield 81% of theory, together with a small amount of bis(4-chlorophenyl) sulfone.