HuagongsheHuagongshe Chemistry Print Report · For research reference only
4,6-Dichloroisatin
CFL-120 · 4,6-DICHLORO-1H-INDO · 4,6- twoisatin chloride · 4,6-Dichloroisatin, 95+% · 4,6-Dichloroindole-2,3-dione · 4,6-Dichloroindoline-2,3-dione · 1H-Indole-2,3-dione, 4,6-dichloro- · 4,6-dichlorodihydroindole-2,3-dione
Identifiers & Physical Properties
| CAS No. | 18711-15-4 |
|---|---|
| Molecular formula | C8H3Cl2NO2 |
| Average molar mass | 216.02 g/mol |
| Monoisotopic mass | 214.9540837 g/mol |
| SMILES | O=C1Nc2cc(Cl)cc(Cl)c2C1=O |
| InChIKey | CGCVHJCZBIYRQC-UHFFFAOYSA-N |
| PubChem CID | 251908 |
| ChEMBL | CHEMBL385800 |
| DTXSID | DTXSID60291058 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 46.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 269 |
| Melting point | 260.5-261℃ |
| Density | 1.643±0.06 g/cm3 (20 ºC 760 Torr) |
| Storage conditions | Sealed in dry,Room Temperature |
| pKa (acidity coefficient) | 8.59±0.20(Predicted) |
| Physical state | Solid |
| Color | Light yellow to yellow |
| InChI | InChI=1S/C8H3Cl2NO2/c9-3-1-4(10)6-5(2-3)11-8(13)7(6)12/h1-2H,(H,11,12,13) |
| InChIKey | CGCVHJCZBIYRQC-UHFFFAOYSA-N |
| SMILES | N1C2=C(C(Cl)=CC(Cl)=C2)C(=O)C1=O |
| GHS pictogram | GHS06 |
| Signal word | Danger |
| GHS hazard statements | H302-H312-H315-H319-H335 |
| GHS precautionary statements | P262-P280-P301+P310-P304+P340-P305+P351+P338-P310 |
| UN transport number | UN2811 |
| Hazard class | 6.1 |
| Limited quantities | 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| UN transport number | UN2811 |
|---|---|
| Signal word | Danger |
| GHS pictogram | GHS06 |
| Hazard class | 6.1 |
| GHS hazard statements | H302-H312-H315-H319-H335 |
| Limited quantities | 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| GHS precautionary statements | P262-P280-P301+P310-P304+P340-P305+P351+P338-P310 |
Applications & Uses
Uses
CFL-120 is a potent KRasG12C inhibitor. CFL-120 shows an antiproliferative effect. CFL-120 shows anticancer activity. CFL-120 has the potential for the research of lung cancer[1].