| CAS Number | 93600-66-9 |
| Catalog Number | AG00H0D0(AGN-PC-01A9R7) |
| Chemical Name | 4,8-Dichloro-2-trichloromethylquinoline |
| IUPAC Name | 4,8-dichloro-2-(trichloromethyl)quinoline |
| InChI | InChI=1S/C10H4Cl5N/c11-6-3-1-2-5-7(12)4-8(10(13,14)15)16-9(5)6/h1-4H |
| InChI Key | SVZIGLFLUNAGHC-UHFFFAOYSA-N |
| MDL Number | MFCD00272425 |
| Molecular Formula | C10H4Cl5N |
| Molecular Weight | 315.4105 |
| SMILES | Clc1cccc2c1nc(cc2Cl)C(Cl)(Cl)Cl |
| Synonyms | 4,8-Dichloro-2-trichloromethylquinoline,
93600-66-9,
4,8-dichloro-2-(trichloromethyl)quinoline,
SCHEMBL9493152,
CTK5H2695,
DTXSID10589199,
ZINC2564346,
MFCD00272425,
AB05679,
OR309242,
2-Trichloromethyl-4-chloro-8-chloroquinoline,
FT-0617295,
T6777,
4,8-Dichloro-2-trichloromethylquinoline, 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