기본 정보
- CAS
20451-53-0- 표준 SMILES
C=CS(=O)c1ccccc1- InChIKey
MZMJHXFYLRTLQX-UHFFFAOYSA-N- 분자식
- C8H8OS
- 평균 분자량
- 152.22 g/mol
- 단동위원소 질량
- 152.02958588
이름 및 식별자
- 우선 이름
- Phenyl vinyl sulphoxide
- IUPAC
- ethenylsulfinylbenzene
- 현지명
- 페닐비닐술폭사이드
- 영어명
- Phenyl vinyl sulfoxide
- 분자식
- C8H8OS
- 분자량
- 152.21
이름 및 동의어
Benzene, (ethenylsulfinyl)-Phenyl vinyl sulphoxideEINECS 243-831-6RefChem:861644243-831-6Phenyl vinyl sulfoxide20451-53-0(Vinylsulfinyl)benzeneethenylsulfinylbenzene(ETHENESULFINYL)BENZENEvinylsulfinylbenzeneMFCD00002086
이름 더 보기
페닐비닐술폭사이드페닐 비닐 설폭사이드NISTC20451530PhenylVinylSulfoxide>(Ethenylsulfinyl)benzenePhenyl ethenyl sulfoxidePhenyl (ethenyl) sulfoxide
Sulfoxide, phenyl vinylCHEMBL16534787500-51-4vinyl phenyl sulfoxide(Ethenylsulfinyl)benzenephenylvinyl sulfoxidevinylsulfinyl-benzeneEthenesulfinyl-benzene
데이터베이스 식별자
- CAS
20451-53-0- PubChem CID
- 88544
- DTXSID
DTXSID90942627- ChEMBL
CHEMBL165347- EC Number
- 243-831-6
- Nikkaji
- J208.881I
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 36.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 136
물리화학적 성질
- 끓는 점
- 93 · 93-95 °C/0.2 mmHg (lit.)
- 밀도
- 1.139 g/mL · 1.139 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.585(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- sol most organic solvents
- 물리적 상태
- 액체
- 색상
- 진한 노란색
- BRN
- 2039218 · 2039218
- InChI
- 1S/C8H8OS/c1-2-10(9)8-6-4-3-5-7-8/h2-7H,1H2
- InChIKey
- MZMJHXFYLRTLQX-UHFFFAOYSA-N
- SMILES
- C=CS(=O)c1ccccc1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationBenzene, (ethenylsulfinyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2930909899
- risk_code
- 41
- hazard_code
- Xi
- safety_code
- 24/25-39-26
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도Phenyl vinyl sulfoxide is used as acetylene equivalent in Diels-Alder, dipolar cycloaddition, and Michael reactions; can be deprotonated to the unsaturated α-sulfinyl carbanion; undergoes additive Pummerer reactions.
일반 설명Phenyl vinyl sulfoxide reacts with lithium enolates of ketones at -78°C in THF to yield bicyclo[n.2.0]alkan-1-ols. It also reacts with in situ generated (dialkylamino)magnesium reagent to yield symmetrical β-(dialkylamino)dithioacetals. It participates as an acetylene equivalent in Diels-Alder reactions.
제조 방법
Phenyl vinyl sulfoxide can be prepared by reaction of a carbanion with chiral arylsulfinates derived from menthol or glucose, or N-sulfinyloxazolidinones of norephedrine or phenylalanine, or by sequential arylation-vinylation of sulfites derived from lactic acid or aminosulfites derived from ephedrine (99+% ee).
공급사50 곳
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