Diphenyl sulfoxide (HCID 13679)

名称と識別子

優先名称: Diphenyl sulfoxide
IUPAC: benzenesulfinylbenzene
現地名: ジフェニルスルホキシド
英語名: Phenyl sulfoxide
分子式: C12H10OS
分子量: 202.27

名称と別名

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

名称をさらに表示

ジフェニルスルホキシド1,1'-スルフィニルビスベンゼンフェニルスルホキシドジフェニルスルホキシドジフェニルスルホキサイドPhS(O)PhthionylbenzeneDiphenyl sulfoxid1,1'-sulfinylbis-PHENYL SULPHOXIDEsulfoxide,diphenylTwo phenylsulfoxide

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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.1
極性表面積: 36.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 170

実験および物理化学的性質

Vapor Pressure0.0000362 [mmHg]

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

物理化学的性質

融点: 69 · 69-71 °C (lit.)
沸点: 206 · 206-208 °C/13 mmHg (lit.)
比重(密度): 1.1833 · 1.1833 (rough estimate)
屈折率: 1.609 · 1.6090 (estimate)
闪点: 206 · 206-208°C/13mm
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、DMSO（微量）
外見: 結晶性粉末
色: ホワイトからオフホワイト
水溶解度: 水に溶ける。ほとんどの有機溶媒に可溶。
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
CAS データベース: 945 · 945-51-7(CAS DataBase Reference)
NISTの化学物質情報: Diphenyl sulfoxide(945-51-7)
EPAの化学物質情報: 1 · Benzene, 1,1'-sulfinylbis- (945-51-7)

化学的性質

化学的特性white to off-white crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

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%)

法規制情報

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

安全データ

wgk: 3
tsca: TSCA listed
rtecs: DA9185000
hs_code: 29309070
hazard_code: Xi
hazard_note: Irritant
safety_code: 22-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

UsesElectron acceptor for liver aldehyde oxidase. [ChemIDplus]

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

応用分野 · 2 件

用途有機合成原料。

使用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.