1-Ethyl-3-methylimidazolium trifluoromethanesulfonate

HCID 2758874

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 145022-44-2
표준 SMILES: CCn1cc[n+](C)c1.O=S(=O)([O-])C(F)(F)F
InChIKey: ZPTRYWVRCNOTAS-UHFFFAOYSA-M
분자식: C7H11F3N2O3S
평균 분자량: 260.24 g/mol
단동위원소 질량: 260.04424787

개요

structure in first source

이름 및 식별자

우선 이름: 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate
IUPAC: 1-ethyl-3-methylimidazol-3-ium;trifluoromethanesulfonate
영어명: 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate
분자식: C7H11F3N2O3S
분자량: 260.23

이름 및 동의어

145022-44-21-Ethyl-3-methylimidazolium trifluoromethanesulfonateDTXSID4047965DTXCID4027941RefChem:75746680-002-11-Ethyl-3-methylimidazolium Triflate1-ethyl-3-methyl-1H-imidazol-3-ium trifluoromethanesulfonateMFCD00210008EMIM OtfC7H11F3N2O3S3-Ethyl-1-methyl-1H-imidazol-3-ium trifluoromethanesulfonate

이름 더 보기

SKL13931-Ethyl-Basionics? VS 111-Ethyl-3-methylimidazolium trifluoromet1-ETHYL-3-METHYL-IMIDAZOLIUM TRIFLUOROMEEMIM Otf 1-Ethyl-3-methylimidazolium TriflateEthyl-3-MethyliMidazoliuM trifluoroMethanesulfo1-Ethyl-3-methylimidazolium trifluoromethanesulfote

1-Ethyl-3-methylimidaz1-ethyl-3-methyl-imidazol-3-ium; trifluoromethanesulfonate[EMIM][TRIFLATE]1-ethyl-3-methyl-1h-imidazolium trifluoromethanesulfonateEC 680-002-1AKOS0159038711-ethyl-3-methylimidazol-3-ium;trifluoromethanesulfonate1-Ethyl-3-methylimidazolium Triflate; EMIMOtf

데이터베이스 식별자

CAS: 145022-44-2
PubChem CID: 2758874
DTXSID: DTXSID4047965
ChEMBL: CHEMBL3560885
EC Number: 680-002-1

물성

구조 계산 물성

극성 표면적: 74.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 218

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점: -12 °C · -12°C
끓는 점: 350 °C · >350 °C (lit.)
밀도: 1.387 g/mL · 1.387 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.435(lit.)
인화점: 230 °F · >230 °F
저장 조건: 30 °C · Store below +30°C.
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
수용성: 물에 용해됩니다.
InChI: InChI=1S/C6H11N2.CHF3O3S/c1-3-8-5-4-7(2)6-8;2-1(3,4)8(5,6)7/h4-6H,3H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey: ZPTRYWVRCNOTAS-UHFFFAOYSA-M
SMILES: N1(CC)C=C[N+](C)=C1.C(F)(F)(F)S([O-])(=O)=O
LogP: -2.5 · -2.5--2.2 at 23℃ and pH6.8

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 93% (107 of 115) of all reports.

Not Classified

Aggregated GHS information provided per 115 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationREACH registered substance: 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate (EC: 680-002-1)

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
HS 번호: 29332900
risk_code: 36/38
hazard_code: Xi
safety_code: 26-36-24/25
위험 등급: IRRITANT
F 고인화성물질: 9-21
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도1-Ethyl-3-methylimidazolium trifluoromethanesulfonate may be used as a solvent to produce ionic polymer-polymer composites (IP2C) and also in lipase-catalyzed enantioselective amine acylation with 4-pentenoic acid.

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

怀化元研达生物技术有限责任公司18711085600 · [email protected]

上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

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