2,2,2-Trifluoroethyl trifluoromethanesulfonate
기본 정보
- CAS
6226-25-1- 표준 SMILES
O=S(=O)(OCC(F)(F)F)C(F)(F)F- InChIKey
RTMMSCJWQYWMNK-UHFFFAOYSA-N- 분자식
- C3H2F6O3S
- 평균 분자량
- 232.1 g/mol
- 단동위원소 질량
- 231.96288424
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 Ų
- 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
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.
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