2,2,2-Trifluoroethyl trifluoromethanesulfonate (HCID 80366)

이름 및 식별자

우선 이름: 2,2,2-Trifluoroethyl trifluoromethanesulfonate
IUPAC: 2,2,2-trifluoroethyl trifluoromethanesulfonate
영어명: 2,2,2-Trifluoroethyl trifluoromethanesulfonate
분자식: C3H2F6O3S
분자량: 232.1

이름 및 동의어

2,2,2-Trifluoroethyl trifluoromethanesulfonateRefChem:440556458-390-7612-977-66226-25-12,2,2-Trifluoroethyltrifluoromethanesulfonate2,2,2-Trifluoroethyl triflateMethanesulfonic acid, trifluoro-, 2,2,2-trifluoroethyl esterMFCD00671579Trifluoromethanesulfonic Acid 2,2,2-Trifluoroethyl Ester2,2,2-trifluoroethyltrifluoromethanesulphonate2,2,2-trifluoroethyl trifluoromethanesulphonate

이름 더 보기

TFOL-TF2,2,2-Trifluoroethyl Triflante2,2,2-Trifluoroethyl trifluoromethanesulf2-Trifluoroethyl trifluoromethanesulfonate2,2,2-Trifluoroethytrifluoromethanesulfonate2,2,2-Trifluoroethyl trifluoromethanesulfote2,2,2-Trifluoroethyl trifluoroMethylsulfonate

2,2,2-trifluoroethyl trifluoromethane-sulfonate2,2,2-trifluoroethyl trifluoromethane sulfonateTrifluoromethanesulfonic Acid 2,2,2-Trifluoroethyl Ester; 2,2,2-Trifluoroethanol Trifluoromethanesulfonate; 2,2,2-Trifluoroethyl trifluoromethanesulfonate; 2,2,2-Trifluoroethyl trifluoromethylsulfonate;Trifluoroethyltriflatetrifluoroethyl triflateCF3CH2OTftrifluoroethanol triflateCF3CH2OSO2CF3

데이터베이스 식별자

CAS: 6226-25-1
PubChem CID: 80366
DTXSID: DTXSID1073365
UNII: KXY6L2J6TQ
EC Number: 458-390-7、612-977-6
Nikkaji: J969.263K

물성

구조 계산 물성

XLogP: 2
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 9
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 254

실험 및 물리화학적 성질

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

물리화학적 성질

끓는 점: 89 · 89-91°C
밀도: 1 · 1,61 g/cm3
굴절률: 1.3037 · 1.3037
인화점: 110 ° · >110°(230°F)
저장 조건: 2 · 2-8°C
용해도: 에 용해됨클로로포름, 메탄올 (약간 용해됨)
물리적 상태: 액체
색상: 무색~황색
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C3H2F6O3S/c4-2(5,6)1-12-13(10,11)3(7,8)9/h1H2
InChIKey: RTMMSCJWQYWMNK-UHFFFAOYSA-N
SMILES: C(F)(F)(F)S(OCC(F)(F)F)(=O)=O
EPA: 2 · Methanesulfonic acid, trifluoro-, 2,2,2-trifluoroethyl ester (6226-25-1)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H301 (85.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 91 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H226 (14.3%): Flammable liquid and vapor [Warning Flammable liquids]

유해성 정보

Regulatory InformationStatus: Active Update: 19-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34098

Hazard Classes and Categories · 2건

Flam. Liq. 3 (14.3%)

Acute Tox. 3 (85.7%)

안전 데이터

wgk: 3
ridadr: 3265
HS 번호: 29055900
risk_code: 36/37/38-34-23/25
hazard_code: Xi,T,C
safety_code: 26-36/37/39-45
포장분류: Ⅱ
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 3 OralSkin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

응용 분야 · 1건

용도2,2,2-Trifluoroethyl trifluoromethanesulfonate is a powerful trifluoroethylating agent which is useful for synthesis of fluorinated amino acids. It is used as a reagent in thenantioselective preparation of cyclic N-aryl hydroxamic acids via phase-transfer catalyzed alkylation of nitrobenzyl bromides to give nirophenylalanines.