| CAS Number | 93600-20-5 |
| Catalog Number | AG006EX4(AGN-PC-01A9E7) |
| Chemical Name | 4,6-Dichloro-2-trichloromethyl-quinoline |
| IUPAC Name | 4,6-dichloro-2-(trichloromethyl)quinoline |
| InChI | InChI=1S/C10H4Cl5N/c11-5-1-2-8-6(3-5)7(12)4-9(16-8)10(13,14)15/h1-4H |
| InChI Key | FHXKVGZILZNOCZ-UHFFFAOYSA-N |
| MDL Number | MFCD00272424 |
| Molecular Formula | C10H4Cl5N |
| Molecular Weight | 315.4105 |
| SMILES | Clc1ccc2c(c1)c(Cl)cc(n2)C(Cl)(Cl)Cl |
| Synonyms | 4,6-Dichloro-2-trichloromethyl-quinoline,
93600-20-5,
4,6-dichloro-2-(trichloromethyl)quinoline,
SCHEMBL9493144,
CTK5H2694,
DTXSID90588862,
QU034,
ZINC2564345,
MFCD00272424,
AB05676,
4,6-Dichloro-2-trichloromethylquinoline,
OR307815,
2-Trichloromethyl-4-chloro-6-chloroquinoline,
FT-0617240,
T6776,
4,6-Dichloro-2-trichloromethyl-quinoline, AldrichCPR,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.876g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.399g/mol |
| Monoisotopic Mass | 312.879g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H413
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P301+P310
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number