2-(Trimethylsilyl)ethane-1-sulfonyl chloride

HCID 9837086CAS 106018-85-3

기본 정보

표준 SMILES: C[Si](C)(C)CCS(=O)(=O)Cl
InChIKey: BLPMCIWDCRGIJV-UHFFFAOYSA-N
분자식: C5H13ClO2SSi
평균 분자량: 200.76 g/mol
단동위원소 질량: 200.00940487

이름 및 식별자

우선 이름: 2-(Trimethylsilyl)ethane-1-sulfonyl chloride
IUPAC: 2-trimethylsilylethanesulfonyl chloride
영어명: 2-(Trimethylsilyl)ethanesulfonyl chlori&
분자식: C5H13ClO2SSi
분자량: 200.76

이름 및 동의어

2-(trimethylsilyl)ethane-1-sulfonyl chlorideRefChem:462634628-168-62-(Trimethylsilyl)ethanesulfonyl chloride106018-85-32-trimethylsilylethanesulfonyl ChlorideMFCD092651532-Trimethylsilanyl-ethanesulfonyl Chloride2-(TRIMETHYLSILYL)ETHANESULFONYL CHLORI2-(TRIMETHYLSILYL)ETHANESULFONYL CHLORI&SES-ClEthanesulfonylchloride, 2-(trimethylsilyl)-

이름 더 보기

06018-85-32-(trimethylsilyl)ethylsulfonylchloro2-(TRISMETHYLSILYL)ETHANESULPHONYLCHLORIDE2-Trimethylsilylethylsulfonyl chloride, SES-Cl

Ethanesulfonyl chloride, 2-(trimethylsilyl)-C5H13ClO2SSiSCHEMBL1115359DTXSID20431554BLPMCIWDCRGIJV-UHFFFAOYSA-N2-(trimethylsilyl)ethylsulfonylchlorideAKOS0063362392-trimethylsilanylethanesulfonyl chloride

데이터베이스 식별자

CAS: 106018-85-3
PubChem CID: 9837086
DTXSID: DTXSID20431554
EC Number: 628-168-6
Nikkaji: J1.512.977H

물성

구조 계산 물성

극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 187

물리화학적 성질

끓는 점: 146.8 °C/760 · 146.8 °C/760 mmHg
밀도: 1.059 g/mL · 1.059 g/mL at 25 °C
굴절률: 20 · n20/D 1.4444
인화점: 21 °C · 21 °C
저장 조건: 2 · 2-8°C
용해도: 가장 일반적인 유기 용매인 Sol입니다.
InChI: 1S/C5H13ClO2SSi/c1-10(2,3)5-4-9(6,7)8/h4-5H2,1-3H3
InChIKey: BLPMCIWDCRGIJV-UHFFFAOYSA-N
SMILES: C[Si](C)(C)CCS(Cl)(=O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 2
HS 번호: 2931900090
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도β-Trimethylsilylethanesulfonyl Chloride is used in the protection of primary and secondary amines as their sulfonamides, which are cleaved by fluoride ion. It participates in the reations of Protection of Amines, SESCl in Synthesis, N-Alkylation, Deprotection Conditions, Formation of 2-Trimethylsilylethanesulfonylimines, the (N-SES-Imino) Phenyliodinane or SESN=IPh Reagent, SES-N3, etc.

제조 방법 · 1건

|-Trimethylsilylethanesulfonyl Chloride can be most conveniently synthesized from commercially available vinyltrimethylsilane (eq 1). Radical addition of sodium bisulfite to the vinyl group catalyzed by t-butyl perbenzoate yields the sulfonate salt which can be directly converted to SESCl with phosphorus(V) chloride. The chloride can then be purified by distillation. The intermediate sulfonate salt is commercially available. The chloride can also be prepared in 62% yield from the salt using sulfuryl chloride and triphenylphosphine (eq 2). A less convenient procedure to synthesize SESCl using |-trimethylsilylethylmagnesium chloride and sulfuryl chloride has also been developed (eq 3).