Basic information
- CAS
145022-44-2- Standard SMILES
CCn1cc[n+](C)c1.O=S(=O)([O-])C(F)(F)F- InChIKey
ZPTRYWVRCNOTAS-UHFFFAOYSA-M- Molecular formula
- C7H11F3N2O3S
- Average molar mass
- 260.24 g/mol
- Monoisotopic mass
- 260.04424787
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate
- IUPAC
- 1-ethyl-3-methylimidazol-3-ium;trifluoromethanesulfonate
- English name
- 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate
- Molecular formula
- C7H11F3N2O3S
- Molecular weight
- 260.23
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
145022-44-2- PubChem CID
- 2758874
- DTXSID
DTXSID4047965- ChEMBL
CHEMBL3560885- EC Number
- 680-002-1
Properties
Computed structural properties
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Experimental & physicochemical properties
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
Physicochemical properties
- Melting point
- -12 °C · -12°C
- Boiling point
- 350 °C · >350 °C (lit.)
- Density
- 1.387 g/mL · 1.387 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.435(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Viscosity
- 39.8 cP · 39.8 cP
- Water Solubility
- Soluble in water.
- 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
- CAS DataBase Reference
- 145022 · 145022-44-2(CAS DataBase Reference)
- ECW
- 3.9 V · 3.9 V
- UNSPSC Code
- 12352107 · 12352107
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 280 a-P305+P351+P338-P321-P332+P313-P337+P313-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 · P280a-P305+P351+P338-P321-P332+P313-P337+P313-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- PPE
- Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/38
- Safety Statements
- 26 · 26-36-24/25
- WGK Germany
- 3 · 3
- F
- 9 · 9-21
- HazardClass
- IRRITANT
- HS Code
- 29332900 · 29332900
- Storage Class
- 10 · 10 - Combustible liquids
- REACH Registrations
- Inactive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Regulatory InformationREACH registered substance: 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate (EC: 680-002-1)
Hazard Classes and CategoriesNot Classified
Safety data
- F
- 9-21
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29332900
- risk_code
- 36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319
- REACH Registrations
- Inactive
- Precautionary statements
- P280a-P305+P351+P338-P321-P332+P313-P337+P313-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
UsesRecently used in the preparation of hydrophobic, highly conductive ambient-temperature molten salts, and in the preparation of dual intercalating molten electrolyte batteries.
Uses1-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.
Suppliers100 total
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]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
河南赢创生物科技有限公司15672878902 · [email protected]
浙江蓝德能源科技发展有限公司13588285484 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
上海将来实业股份有限公司021-61552785 · [email protected]
山东新阳化工有限公司13287720377 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
杭州鼎燕化工有限公司0571-87157530-8003 18267553885 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
康幸生物科技（上海）有限公司021-61556450 15800904410
上海西陇生化科技有限公司021-52907766-8042
Related reactions
1 records
Compound notes
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