| CAS Number | 137776-95-5 |
| Catalog Number | AG0013U6(AGN-PC-003XG4) |
| Chemical Name | 3-Chloromethyl-2,7-dichloroquinoline |
| IUPAC Name | 2,7-dichloro-3-(chloromethyl)quinoline |
| InChI | InChI=1S/C10H6Cl3N/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4H,5H2 |
| InChI Key | HKNGUBRIEPCZJW-UHFFFAOYSA-N |
| MDL Number | MFCD09787662 |
| Molecular Formula | C10H6Cl3N |
| Molecular Weight | 246.5203 |
| SMILES | ClCc1cc2ccc(cc2nc1Cl)Cl |
| Synonyms | 3-Chloromethyl-2,7-dichloroquinoline,
137776-95-5,
2,7-dichloro-3-(chloromethyl)quinoline,
CTK8E4443,
DTXSID90568987,
MFCD09787662,
ZINC11985093,
AB51932,
2,7-dichloro-3-(chloromethyl)-quinoline,
RT-008694,
Quinoline, 2,7-dichloro-3-(chloromethyl)-,
T6382,
3-Chloromethyl-2,7-dichloroquinoline, AldrichCPR,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.515g/mol |
| Monoisotopic Mass | 244.957g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H318
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P301+P310-P305+P351+P338
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number