트랜스-1,2-비스(페닐렌포닐)에틸렌

trans-1,2-Bis(phenylsulfonyl)ethylene

HCID 5367099

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 963-16-6
표준 SMILES: O=S(=O)(/C=C/S(=O)(=O)c1ccccc1)c1ccccc1
InChIKey: YGBXMKGCEHIWMO-VAWYXSNFSA-N
분자식: C14H12O4S2
평균 분자량: 308.4 g/mol
단동위원소 질량: 308.01770086

이름 및 식별자

우선 이름: trans-1,2-Bis(phenylsulfonyl)ethylene
IUPAC: [(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene
현지명: 트랜스-1,2-비스(페닐렌포닐)에틸렌
영어명: trans-1,2-Bis(phenylsulfonyl)ethylene
분자식: C14H12O4S2
분자량: 308.37

이름 및 동의어

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

이름 더 보기

트랜스-1,2-비스(페닐렌포닐)에틸렌RARECHEM 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 85 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 20
형식 전하: 0
복잡도: 473

물리화학적 성질

녹는점: 221 · 221-223 °C(lit.)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29041000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

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

일반 설명Chiral 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.