| CAS Number | 1070879-61-6 |
| Catalog Number | AG0082LT(AGN-PC-05T2XV) |
| Chemical Name | 4-Bromo-2,7,8-trimethylquinoline |
| IUPAC Name | 4-bromo-2,7,8-trimethylquinoline |
| InChI | InChI=1S/C12H12BrN/c1-7-4-5-10-11(13)6-8(2)14-12(10)9(7)3/h4-6H,1-3H3 |
| InChI Key | FDEFLDIBSLKLEN-UHFFFAOYSA-N |
| MDL Number | MFCD11505146 |
| Molecular Formula | C12H12BrN |
| Molecular Weight | 250.1344 |
| SMILES | Cc1cc(Br)c2c(n1)c(C)c(cc2)C |
| Synonyms | 4-Bromo-2,7,8-trimethylquinoline,
1070879-61-6,
CTK4A4990,
DTXSID80653710,
MFCD11505146,
ZINC32099878,
AKOS022889575,
FCH1404189,
OR309295,
RT-016889,
T6149,
4-Bromo-2,7,8-trimethylquinoline, AldrichCPR,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.139g/mol |
| Monoisotopic Mass | 249.015g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H318-H413
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P301+P310-P305+P351+P338
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number