CAS 963-16-6 trans-1,2-Bis(phenylsulfonyl)ethylene (HCID 5367099)

基本情報

CAS: 963-16-6
標準SMILES: O=S(=O)(/C=C/S(=O)(=O)c1ccccc1)c1ccccc1
InChIKey: YGBXMKGCEHIWMO-VAWYXSNFSA-N
分子式: C14H12O4S2
平均分子量: 308.4 g/mol
単同位体質量: 308.01770086

名称と識別子

優先名称: trans-1,2-Bis(phenylsulfonyl)ethylene
IUPAC: [(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene
現地名: trans-1,2-ビス(フェニルスルホニル)エチレン
英語名: trans-1,2-Bis(phenylsulfonyl)ethylene
分子式: C14H12O4S2
分子量: 308.37

名称と別名

trans-1,2-Bis(phenylsulfonyl)ethyleneRefChem:898690626-405-8963-16-6(E)-1,2-Bis(phenylsulfonyl)ethene[(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzeneMFCD00066528(Z)-1,2-Bis(phenylsulfonyl)ethene[(1E)-2-(benzenesulfonyl)ethenesulfonyl]benzeneC14H12O4S2NSC202471UPCMLD00WV-99

名称をさらに表示

trans-1,2-ビス(フェニルスルホニル)エチレン(E)-1,2-ビス(フェニルスルホニル)エテン[(E)-1,2-エテンジイル]ビス(フェニルスルホン)(E)-1,2-エテンジイルビス(フェニルスルホン)[(1E)-2-(ベンゼンスルホニル)エテンスルホニル]ベンゼンRARECHEM AQ A1 0068(E)-1,2-bis(phenylsulfonyl)ethylenerans-1,2-Bis(phenylsulfonyl)ethylene(E)-1,2-Ethenediylbis(phenyl sulfone)[(E)-1,2-Ethenediyl]bis(phenyl sulfone)trans-1,2-Bis(phenylsulfonyl)ethylene >trans-1,2-Bis(phenylsulfonyl)ethylene 98%

1,1'-[(E)-ethene-1,2-diyldisulfonyl]dibenzeneSCHEMBL1344338DTXSID901225042trans-1,2-diphenylsulfonylethyleneZ-1,2-Bis(phenylsulfonyl)ethyleneAKOS015840622(Z)-1,2-Bis(benzenesulfonyl)ethyleneNSC-202471

データベース識別子

CAS: 963-16-6
PubChem CID: 5367099
DTXSID: DTXSID901225042
EC Number: 626-405-8
Nikkaji: J181.734E、J323.450I

物性

構造計算による物性

XLogP: 2.1
極性表面積: 85 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 20
形式電荷: 0
複雑度: 473

物理化学的性質

融点: 221 · 221-223 °C(lit.)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: powder to crystal
色: White to Almost white
BRN: 2334889 · 2334889
InChI: 1S/C14H12O4S2/c15-19(16,13-7-3-1-4-8-13)11-12-20(17,18)14-9-5-2-6-10-14/h1-12H/b12-11+
InChIKey: YGBXMKGCEHIWMO-VAWYXSNFSA-N
SMILES: O=S(=O)(\C=C\S(=O)(=O)c1ccccc1)c2ccccc2

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29041000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用trans-1,2-Bis(phenylsulfonyl)ethylene was used in total synthesis of (+)-7-deoxypancratistatin.

一般的な説明Chiral BINAP-AuTFA- and chiral BINAP-AgTFA (TFA = trifluoroacetate anion) -promoted catalytic enantioselective 1,3-dipolar cycloadditions of iminoglycinates with trans-1,2-bis(phenylsulfonyl)ethylene were studied.