| CAS Number | 927800-47-3 |
| Catalog Number | AG00IHBJ |
| Chemical Name | 4-Chloro-6-fluoro-2-(trichloromethyl)quinoline |
| IUPAC Name | 4-chloro-6-fluoro-2-(trichloromethyl)quinoline |
| InChI | InChI=1S/C10H4Cl4FN/c11-7-4-9(10(12,13)14)16-8-2-1-5(15)3-6(7)8/h1-4H |
| InChI Key | QQZORGMGEWUHTQ-UHFFFAOYSA-N |
| MDL Number | MFCD02684139 |
| Molecular Formula | C10H4Cl4FN |
| Molecular Weight | 298.9559 |
| SMILES | ClC(C1=NC2=CC=C(F)C=C2C(Cl)=C1)(Cl)Cl |
| Synonyms | 4-Chloro-6-fluoro-2-trichloromethyl-quinoline,
927800-47-3,
4-chloro-6-fluoro-2-(trichloromethyl)quinoline,
CTK5H1678,
DTXSID60588859,
QU028,
ZINC2583866,
ZX-AP009789,
MFCD02684139,
AB12555,
PC51037,
2-Trichloromethyl-4-chloro-6-fluoroquinoline,
4-Chloro-6-fluoro-2-trichloromethylquinoline,
T6763,
4-Chloro-6-fluoro-2-trichloromethyl-quinoline, AldrichCPR,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.905g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.947g/mol |
| Monoisotopic Mass | 296.908g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P301+P310
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number