| CAS Number | 1070879-32-1 |
| Catalog Number | AG0082LX(AGN-PC-0WAMXD) |
| Chemical Name | 4-BROMO-6-(TRIFLUOROMETHYL)QUINOLINE |
| IUPAC Name | 4-bromo-6-(trifluoromethyl)quinoline |
| InChI | InChI=1S/C10H5BrF3N/c11-8-3-4-15-9-2-1-6(5-7(8)9)10(12,13)14/h1-5H |
| InChI Key | ZRNZIUQSTWFKRN-UHFFFAOYSA-N |
| MDL Number | MFCD11505113 |
| Molecular Formula | C10H5BrF3N |
| Molecular Weight | 276.0526 |
| SMILES | FC(C1=CC=C2N=CC=C(Br)C2=C1)(F)F |
| Synonyms | 4-bromo-6-(trifluoromethyl)quinoline,
1070879-32-1,
4-Bromo-6-trifluoromethylquinoline,
4-Bromo-6-trifluoromethyl-quinoline,
AK143114,
SCHEMBL8547469,
CTK4A4961,
KS-00000QSV,
DTXSID70596501,
ZRNZIUQSTWFKRN-UHFFFAOYSA-N,
MFCD11505113,
ZINC32099843,
AKOS005198903,
CB-1470,
DS-7613,
AJ-84710,
PC404569,
RT-016950,
BB 0241060,
T6137,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.056g/mol |
| Monoisotopic Mass | 274.956g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number