Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
페닐술폭사이드
페닐술폭사이드 · 페닐설폭사이드 · DIPHENYL SULFOXIDE · sulfinyldibenzene · PhS(O)Ph · thionylbenzene · PHENYL SULFOXIDE · Diphenyl sulfoxid
식별자 및 물리적 특성
| CAS No. | 945-51-7 |
|---|---|
| 분자식 | C12H10OS |
| 평균 분자량 | 202.27 g/mol |
| 단동위원소 질량 | 202.04523611 g/mol |
| SMILES | O=S(c1ccccc1)c1ccccc1 |
| InChIKey | JJHHIJFTHRNPIK-UHFFFAOYSA-N |
| PubChem CID | 13679 |
| ChEMBL | CHEMBL336123 |
| ChEBI | CHEBI:177532 |
| EC No. | 213-415-9 |
| DTXSID | DTXSID0022141 |
| 현지명 | 페닐술폭사이드 |
화학 및 물리적 성질
| XLogP | 2.1 |
|---|---|
| 극성 표면적 | 36.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 170 |
| 증기압 | 0.0000362 [mmHg] |
| Physical Description | White to cream crystalline powder[Alfa Aesar MSDS] |
| 녹는점 | 69-71 °C (lit.) |
| 끓는 점 | 206-208 °C/13 mmHg (lit.) |
| 밀도 | 1.1833 (rough estimate) |
| 굴절률 | 1.6090 (estimate) |
| 인화점 | 206-208°C/13mm |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 클로로포름 (약간 용해됨), DMSO (약간 용해됨) |
| 물리적 상태 | 결정성 분말 |
| 색상 | 흰색에서 황백색까지 |
| 용해도 | 물에 용해됩니다. 대부분의 유기용매에 용해됩니다. |
| BRN | 1908444 |
| InChI | 1S/C12H10OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H |
| InChIKey | JJHHIJFTHRNPIK-UHFFFAOYSA-N |
| SMILES | O=S(c1ccccc1)c2ccccc2 |
| NIST | Diphenyl sulfoxide(945-51-7) |
| EPA | Benzene, 1,1'-sulfinylbis- (945-51-7) |
화학적 성질
white to off-white crystalline powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Benzene, 1,1'-sulfinylbis-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Intraperitoneal LD50 (mouse) = 750 mg/kg[RTECS] May cause irritation[Alfa Aesar MSDS] See Dimethyl sulfoxide. |
| Hazard Classes and Categories | Skin Irrit. 2 (66.7%)Eye Irrit. 2A (66.7%)STOT SE 3 (66.7%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DA9185000 |
| 관세 코드 | 29309070 |
| 위험 표시 | Xi |
| 안전 문구(S) | 22-24/25 |
| 위험 참고 사항 |
용도
용도
Diphenyl sulfoxide is a reagent used as an oxidant and hydroxyl activator in combination with a variety of electrophilic reagents. Efficient glycosidation of a phenyl thiosialoside donor with diphenyl sulfoxide and triflic anhydride in dichloromethane was reported. Direct glycosylations with 1-hydroxy glycosyl donors is made using trifluoromethanesulfonic anhydride and diphenyl sulfoxide. The preparation of triarylsulfonium halides was by the action of aryl Grignard reagents on diphenyl sulfoxide.