| CAS Number | 741677-68-9 |
| Catalog Number | AG003E6G(AGN-PC-0U4ME3) |
| Chemical Name | 1-Butyl-3-methyl-1H-imidazol-3-ium trifluoro(trifluoromethyl)borate |
| IUPAC Name | 1-butyl-3-methylimidazol-3-ium;trifluoro(trifluoromethyl)boranuide |
| InChI | InChI=1S/C8H15N2.CBF6/c1-3-4-5-10-7-6-9(2)8-10;3-1(4,5)2(6,7)8/h6-8H,3-5H2,1-2H3;/q+1;-1 |
| InChI Key | PTBVLMHYOBXNCB-UHFFFAOYSA-N |
| MDL Number | MFCD15072148 |
| Molecular Formula | C9H15BF6N2 |
| Molecular Weight | 276.0302 |
| SMILES | C[N+]1=CN(CCCC)C=C1.FC([B-](F)(F)F)(F)F |
| Synonyms | 741677-68-9,
1-Butyl-3-methylimidazolium Trifluoro(trifluoromethyl)borate,
1-Butyl-3-methyl-1H-imidazol-3-ium trifluoro(trifluoromethyl)borate,
CTK8B3607,
DTXSID50659840,
ANW-42801,
MFCD15072148,
RTR-037633,
KS-0000178B,
TR-037633,
B3542,
1-butyl-3-methylimidazolium trifluoromethyltrifluoroborate,
1-Butyl-3-methylimidazoliumTrifluoro(trifluoromethyl)borate,
1-Butyl-3-methyl-1H-imidazol-3-ium trifluoro(trifluoromethyl)borate(1-),
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.033g/mol |
| Monoisotopic Mass | 276.123g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 8.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319
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Packing Group
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Precautionary statements
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P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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UN Code
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Certificate of Analysis
Lot Number