| CAS Number | 174899-65-1 |
| Catalog Number | AG00200L(AGN-PC-0QANI0) |
| Chemical Name | 1H-Imidazolium, 3-ethyl-1-methyl-, 2,2,2-trifluoroacetate (1:1) |
| IUPAC Name | 1-ethyl-3-methylimidazol-3-ium;2,2,2-trifluoroacetate |
| InChI | InChI=1S/C6H11N2.C2HF3O2/c1-3-8-5-4-7(2)6-8;3-2(4,5)1(6)7/h4-6H,3H2,1-2H3;(H,6,7)/q+1;/p-1 |
| InChI Key | JOKVYNJKBRLDAT-UHFFFAOYSA-M |
| MDL Number | MFCD08458492 |
| Molecular Formula | C8H11F3N2O2 |
| Molecular Weight | 224.1803 |
| SMILES | C[N+]1=CN(CC)C=C1.O=C([O-])C(F)(F)F |
| Synonyms | 1-ETHYL-3-METHYLIMIDAZOLIUM TRIFLUOROACETATE,
174899-65-1,
SCHEMBL358901,
CTK4D5124,
DTXSID40431192,
JOKVYNJKBRLDAT-UHFFFAOYSA-M,
MFCD08458492,
AKOS025394454,
TX-015938,
E1307,
FT-0735968,
CID9815936,
3-ethyl-1-methyl-1H-Imidazolium 2,2,2-trifluoroacetate,
IUPAC: 3-ethyl-1-methyl-imidazole; 2,2,2-trifluoroacetate,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.183g/mol |
| Monoisotopic Mass | 224.077g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H315-H319
|
|
Packing Group
|
|
|
Precautionary statements
|
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
|
|
UN Code
|
|
Certificate of Analysis
Lot Number