tert-Butyldimethylsilyl trifluoromethanesulphonate (HCID 123564)

이름 및 식별자

우선 이름: tert-Butyldimethylsilyl trifluoromethanesulphonate
IUPAC: [tert-butyl(dimethyl)silyl] trifluoromethanesulfonate
영어명: Trifluoromethanesulfonic acid tert-butyldimethylsilyl ester
분자식: C7H15F3O3SSi
분자량: 264.34

이름 및 동의어

tert-Butyldimethylsilyl trifluoromethanesulphonateMethanesulfonic acid, trifluoro-, (1,1-dimethylethyl)dimethylsilyl esterEINECS 274-102-0DTXSID50220034(1,1-Dimethylethyl)dimethylsilyl 1,1,1-trifluoromethanesulfonateRefChem:896565DTXCID50142525274-102-069739-34-0Tert-butyldimethylsilyl trifluoromethanesulfonateTBDMS triflateTrifluoromethanesulfonic Acid tert-Butyldimethylsilyl Ester

이름 더 보기

TBS-OTFTBS Triflatetert-butyldimethylsilyl esterT-BUTYLDIMETHYLSILYL TRIFLUOROMETHANESULFONATETBMDS-OTF

t-Butyldimethylsilyl triflatetert-Butyldimethylsilyl Triflate[tert-butyl(dimethyl)silyl] trifluoromethanesulfonateMFCD00000405TBDMS-OTft-Butyldimethylsilyltrifluoromethanesulfonatetert-Butyldimethylsilyltrifluoromethanesulfonatet-Butylmethylsilyl triflate

데이터베이스 식별자

CAS: 69739-34-0
PubChem CID: 123564
DTXSID: DTXSID50220034
UNII: EE45S257MT
EC Number: 274-102-0
Nikkaji: J267.418A

물성

구조 계산 물성

극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 321

실험 및 물리화학적 성질

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

물리화학적 성질

녹는점: 0 °C · <0°C
끓는 점: 65 · 65-67 °C12 mm Hg(lit.)
밀도: 1.151 g/mL · 1.151 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.385(lit.)
인화점: 98 °F · 98 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름과 약간 섞임.
물리적 상태: 발연 액체
Specific Gravity: 1.151 · 1.151
색상: 무색~황색으로 투명함
수용성: 물에서 분해되다
BRN: 2370068 · 2370068
안정성: 수분에 민감한
InChI: 1S/C7H15F3O3SSi/c1-6(2,3)15(4,5)13-14(11,12)7(8,9)10/h1-5H3
InChIKey: WLLIXJBWWFGEHT-UHFFFAOYSA-N
SMILES: CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F
NIST: Tert-butyldimethylsilyl trifluoromethanesulfonate(69739-34-0)

화학적 성질

clear colorless to yellow fuming liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Methanesulfonic acid, trifluoro-, (1,1-dimethylethyl)dimethylsilyl ester

Status: Active Update: 20-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/27312

Butyldimethylsilyl trifluoromethanesulphonate, t-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
tsca: No
ridadr: UN 2920 8/PG 2
HS 번호: 29310095
risk_code: 10-34-37
hazard_code: C,F
safety_code: 26-36/37/39-45-25-16
포장분류: III
위험 등급: 3
F 고인화성물질: 10-21
위험 참고 사항: Flammable/Corrosive
Hazard Classifications: Flam. Liq. 3Skin Corr. 1BSTOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도TrifluoroMethanesulfonic acid tert-butyldiMethylsilyl ester is a highly reactive silylating agent and lewis acid capable of converting primary, secondary and tertiary alcohols to their respectctive TBDMS. TrifluoroMethanesulfonic acid tert-butyldiMethylsilyl ester is also used to covert ketones and lactones into their enol silyl ethers.

제조 방법 · 1건

to 24 g (0.16 mol) of t-butyldimethylchlorosilane at 23°C under argon is added 14 mL (0.16 mol) of trifluoromethanesulfonic acid dropwise. The solution is heated at 60°C for 10 h, at which time no further hydrogen chloride evolves (removed through a bubbler). The resulting product is distilled under reduced pressure: 34 g (80% yield) of TBDMS triflate; bp 60°C/7 mmHg.