트리플루오로메탄술폰산디플루오로메틸에스테르

Difluoromethyl trifluoromethanesulfonate

HCID 542802CAS 1885-46-7

기본 정보

표준 SMILES
O=S(=O)(OC(F)F)C(F)(F)F
InChIKey
DAANAKGWBDWGBQ-UHFFFAOYSA-N
분자식
C2HF5O3S
평균 분자량
200.09 g/mol
단동위원소 질량
199.95665599

이름 및 식별자

우선 이름
Difluoromethyl trifluoromethanesulfonate
IUPAC
difluoromethyl trifluoromethanesulfonate
현지명
트리플루오로메탄술폰산디플루오로메틸에스테르
영어명
Trifluoromethanesulfonic acid difluoromethyl ester
분자식
C2HF5O3S
분자량
200.08

이름 및 동의어

Difluoromethyl trifluoromethanesulfonate1885-46-7DTXSID501015841RefChem:587463DTXCID901473994808-845-4Trifluoromethanesulfonic acid difluoromethyl esterC2HF5O3SDifluoromethyl triflateMFCD28054469Difluoromethyl triflate, 95%SCHEMBL775774
이름 더 보기
트리플루오로메탄술폰산디플루오로메틸에스테르Difluoromethyl triflate 95%Difluoromethyl trifluoromethanesulfonate 95%Methanesulfonic acid, 1,1,1-trifluoro-, difluoromethyl ester
DAANAKGWBDWGBQ-UHFFFAOYSA-DifluoromethyltrifluoromethanesulfonateDifluoromethyltrifluoromethanesulfonBAA88546DifluorMethyl TrifluoromethanesulfonateAKOS025396846difluoromethyl trifluormethanesulphonateAT13021

데이터베이스 식별자

CAS
1885-46-7
PubChem CID
542802
DTXSID
DTXSID501015841
EC Number
808-845-4
Nikkaji
J597.144F

물성

구조 계산 물성

XLogP
1.8
극성 표면적
51.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
2
무거운 원자 수
11

물리화학적 성질

끓는 점
48.5 · 48.5-49 °C
밀도
1.584 g/mL · 1.584 g/mL at 25 °C
인화점
57 ℃ · 57℃
저장 조건
2 · 2-8°C
물리적 상태
액체
색상
Clear, colourless

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, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 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 CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk
3
ridadr
UN 2920 3(8) / PGII
HS 번호
2905190098
risk_code
22-34
hazard_code
C,Xn
safety_code
26-36/37/39-45

화학 및 산업

응용 분야 · 2건

용도Difluoromethyl triflate (TfO-CHF2) can be used as a reagent: In difluoromethylation reaction. To prepare difluoromethoxylated heterocycles by reacting with hydroxylated N-based heterocycles. To synthesize trifluoromethylated arenes by treating with diaryliodonium salts in the presence of copper and tetrabutylammonium difluorotriphenylsilicate (TBAT).It allows for a simple method toward the preparation of difluoromethyl ethers and thioethers under basic conditions from alcohols and thiols. Difluoromethyl phenols can also be obtained in a single pot from boronic acids and C-H activation of arenes.

일반 설명Difluoromethyl triflate (HCF2OTf) is an easy to handle, air-stable and non-ozone-depleting liquid reagent for difluoromethylation. It can be prepared by reacting trifluoromethyltrimethylsilane (TMSCF3) and triflic acid in the presence of titanium tetrachloride (TiCl4).

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

관련 반응

2건

연결된 노트

불러오는 중…