1-Butanesulfonyl chloride
Butane-1-sulfonyl chloride · 1-ButanesuL · Butylsulfonyl · Butylsulfonylchloride · BUTANESULFONYLCHLORIDE · Butylsulfonyl chloride · Butanesulphonyl chloride · 1-Butylsulfonyl chloride
식별자 및 물리적 특성
| CAS No. | 2386-60-9 |
|---|---|
| 분자식 | C4H9ClO2S |
| 평균 분자량 | 156.63 g/mol |
| 단동위원소 질량 | 156.00117821 g/mol |
| SMILES | CCCCS(=O)(=O)Cl |
| InChIKey | WEDIIKBPDQQQJU-UHFFFAOYSA-N |
| PubChem CID | 75430 |
| ChEMBL | CHEMBL3184302 |
| EC No. | 219-204-8 |
| DTXSID | DTXSID3044883 |
화학 및 물리적 성질
| XLogP | 1.6 |
|---|---|
| 극성 표면적 | 42.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 133 |
| 물질 분류 | Toxic Gases & Vapors -> Acid Halides |
| SpringerMaterials Properties | Boiling point |
| 증기압 | 0.5 [mmHg]0.5 mm Hg ( 20 °C) |
| Physical Description | Colorless, light yellow, or light orange liquid[Acros Organics MSDS] |
| 녹는점 | -29°C |
| 끓는 점 | 80-81 °C/9 mmHg (lit.) |
| 밀도 | 1.208 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.454(lit.) |
| 인화점 | 175 °F |
| 물리적 상태 | 액체 |
| 색상 | 무색투명~연황색 또는 연황색 |
| 용해도 | 물에서 분해되다 |
| BRN | 1748742 |
| InChI | 1S/C4H9ClO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3 |
| InChIKey | WEDIIKBPDQQQJU-UHFFFAOYSA-N |
| SMILES | CCCCS(Cl)(=O)=O |
| NIST | 1-Butanesulfonyl chloride(2386-60-9) |
| EPA | 1-Butanesulfonyl chloride (2386-60-9) |
화학적 성질
clear colourless to light yellow liquid
안전 및 규제
| GHS 분류 | DangerH302 (43.2%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P320, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 81 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 유해성 요약 | Intraperitoneal LD50 (mouse) > 100 mg/kg[RTECS] Reacts with water evolving toxic gasCauses burns and lachrymation[Acros Organics MSDS] See Ethanesulfonylchloride, 2-chloro-. |
| Hazard Classes and Categories | Acute Tox. 4 (43.2%) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | EK5950000 |
| 운송 번호(UN) | UN 3265 8/PG 2 |
| 독성 | mouse,LD50,intraperitoneal,> 100mg/kg (100mg/kg),Nature. Vol. 174, Pg. 737, 1954. |
| 관세 코드 | 29049090 |
| 위험 문구(R) | 34-36/37 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | II |
| 위험 등급 | 8Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| F 고인화성물질 | 10-19-21 |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
개요
1-Butanesulfonyl chloride is an antimicrobial agent that inhibits the production of inflammatory substances. It has been shown to inhibit acetylcholinesterase activity and the growth of cancer cells in vitro. 1-Butanesulfonyl chloride is a cross-linking agent that can be used to produce amides, which are used as pharmaceutical preparations for treating inflammatory diseases.
용도
1-Butanesulfonyl chloride has been used in the preparation of:ethyl 2-(1-butanesulfonamido)pent-4-yn-l-oate1-butanesulfonamid-N,N′-1,2-ethanediylbis1-butanesulfonamide-N,N′-1,3-propanediylbis
일반 설명
1-Butanesulfonyl chloride is a clear, colourless to pale yellow liquid with a pungent odour, primarily used as a chemical intermediate in organic synthesis. It is a highly reactive sulfonyl chloride derivative, commonly employed in the production of sulphonamide drugs, pharmaceutical formulations and active pharmaceutical ingredients (APIs).