| CAS Number | 820965-08-0 |
| Catalog Number | AG003E6F(AGN-PC-0ULDAZ) |
| Chemical Name | 1-Butyl-3-methylimidazolium Tribromide |
| IUPAC Name | 1-butyl-3-methylimidazol-3-ium;tribromide |
| InChI | InChI=1S/3C8H15N2.3BrH/c3*1-3-4-5-10-7-6-9(2)8-10;;;/h3*6-8H,3-5H2,1-2H3;3*1H/q3*+1;;;/p-3 |
| InChI Key | ZIGVKCBNILIOBD-UHFFFAOYSA-K |
| MDL Number | MFCD22199811 |
| Molecular Formula | C8H15Br3N2 |
| Molecular Weight | 378.9301 |
| SMILES | [Br-](Br)Br.C(CCC)[N+]1=CN(C=C1)C |
| Synonyms | 1-Butyl-3-methylimidazolium Tribromide,
820965-08-0,
ACMC-209pmy,
CTK5E9404,
DTXSID90718743,
ANW-37496,
AKOS015832975,
TR-037910,
1-Butyl-3-methyl-1H-imidazol-3-ium bromide (1/1),
|
| Complexity | 93.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 6 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 656.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 657.378g/mol |
| Monoisotopic Mass | 654.126g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 26.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number