Diphenyl sulfoxide (HCID 13679)

이름 및 식별자

우선 이름: Diphenyl sulfoxide
IUPAC: benzenesulfinylbenzene
현지명: 페닐술폭사이드
영어명: Phenyl sulfoxide
분자식: C12H10OS
분자량: 202.27

이름 및 동의어

Diphenyl sulfoxide945-51-7Phenyl sulfoxideDiphenylsulfoxidePhenylsulfinylbenzeneBENZENE, 1,1'-SULFINYLBIS-Sulfoxide, diphenylNSC-6779NSC-6301954V290005U9DTXSID0022141RefChem:588839

이름 더 보기

페닐술폭사이드페닐설폭사이드PhS(O)PhthionylbenzeneDiphenyl sulfoxid1,1'-sulfinylbis-PHENYL SULPHOXIDEsulfoxide,diphenylTwo phenylsulfoxide

DTXCID002141213-415-9sulfinyldibenzenebenzenesulfinylbenzeneDiphenyl sulphoxide(phenylsulfinyl)benzeneMFCD000020851,1'-sulfinyldibenzene

데이터베이스 식별자

CAS: 945-51-7
PubChem CID: 13679
DTXSID: DTXSID0022141
ChEMBL: CHEMBL336123
ChEBI: CHEBI:177532
UNII: 4V290005U9
EC Number: 213-415-9
Nikkaji: J7.183H

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 36.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 170

실험 및 물리화학적 성질

Vapor Pressure0.0000362 [mmHg]

Physical DescriptionWhite to cream crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 69 · 69-71 °C (lit.)
끓는 점: 206 · 206-208 °C/13 mmHg (lit.)
밀도: 1.1833 · 1.1833 (rough estimate)
굴절률: 1.609 · 1.6090 (estimate)
인화점: 206 · 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
수용성: 물에 용해됩니다. 대부분의 유기용매에 용해됩니다.
BRN: 1908444 · 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: 1 · Benzene, 1,1'-sulfinylbis- (945-51-7)

화학적 성질

white to off-white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (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 exposure; Respiratory 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.

유해성 정보

Regulatory InformationBenzene, 1,1'-sulfinylbis-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 750 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Dimethyl sulfoxide.

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (66.7%)

규제 정보

Regulatory InformationBenzene, 1,1'-sulfinylbis-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DA9185000
HS 번호: 29309070
hazard_code: Xi
safety_code: 22-24/25
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

UsesElectron acceptor for liver aldehyde oxidase. [ChemIDplus]

General Manufacturing InformationBenzene, 1,1'-sulfinylbis-: ACTIVE

응용 분야 · 1건

용도Diphenyl 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.