Introduction：Basic information about 4,7-Dichloroquinoline CAS 86-98-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4,7-Dichloroquinoline Basic information
| Product Name: | 4,7-Dichloroquinoline |
| Synonyms: | Hydroxychloroquine Sulfate Impurity 7（Hydroxychloroquine Sulfate EP Impurity G）;Hydroxychloroquine Sulfate EP Impurity G;Sulfate Impurity;4,7-DICHLOROQUINOLINE;4,7-dichloro-quinolin;TL 1473;tl1473;Amobiquine Impurity 1 |
| CAS: | 86-98-6 |
| MF: | C9H5Cl2N |
| MW: | 198.05 |
| EINECS: | 201-714-7 |
| Product Categories: | Building Blocks;C8 to C10;Haloquinolines;Chemical Synthesis;Halogenated Heterocycles;Heterocyclic Building Blocks;Quinolines, Quinazolines and derivatives;Quinoline&Isoquinoline;Quinolines;Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;QuinolinesHeterocyclic Building Blocks;john's |
| Mol File: | 86-98-6.mol |
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4,7-Dichloroquinoline Chemical Properties
| Melting point | 81-83 °C (lit.) |
| Boiling point | 298.4 °F (148°C) |
| density | 1.4178 (rough estimate) |
| vapor pressure | 0.103Pa at 25℃ |
| refractive index | 1.6300 (estimate) |
| Fp | 164 °C |
| storage temp. | 2-30°C |
| solubility | chloroform: soluble50mg/mL, clear, colorless to greenish-yellow |
| pka | 1.99±0.27(Predicted) |
| form | Powder |
| color | White to pale brown |
| PH | 3.86 (24.9°C) |
| biological source | synthetic |
| Water Solubility | insoluble |
| BRN | 125359 |
| InChI | 1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H |
| InChIKey | HXEWMTXDBOQQKO-UHFFFAOYSA-N |
| SMILES | Clc1ccc2c(Cl)ccnc2c1 |
| LogP | 3.193 at 25℃ |
| CAS DataBase Reference | 86-98-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Quinoline, 4,7-dichloro-(86-98-6) |
| EPA Substance Registry System | 4,7-Dichloroquinoline (86-98-6) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-22 |
| WGK Germany | 3 |
| RTECS | VB4200000 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HS Code | 29334910 |
| Storage Class | 13 - Non Combustible Solids |
| Hazard Classifications | Aquatic Chronic 2
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1 |
4,7-Dichloroquinoline Usage And Synthesis
| Chemical Properties | white to light yellow crystal powder |
| Uses | 4,7-Dichloroquinoline is used in the synthesis of hybrid aminoquinoline-triazine derivatives that show anti-microbial activity. In addition, it is used in the synthesis of novel oxazolidinones as anti-microbial agents showing efficacy against common bacterial strains. Chloroquinoline impurity. |
| Uses | 4,7-Dichloroquinoline is used as a drug chloroquine phosphate intermediate. It was used in the synthesis of piperaquine. and as starting reagent in the synthesis of {3-amino-5-[(7-chloro-4-quinolyl)amino]phenyl}methanol. |
| General Description | Chloroquine Related Compound A is an impurity of chloroquine, which is a 9-aminoquinoline drug that effectively inhibits viral infections in humans. |
| Flammability and Explosibility | Not classified |
| Synthesis | 4,7-Dichloroquinoline is obtained by chlorination of 7-chloro-4-hydroxyquinoline. |
| Purification Methods | Crystallise the dichloroquinoline from MeOH or 95% EtOH. [Beilstein 20/7 V 316.] |
4,7-Dichloroquinoline Preparation Products And Raw materials
| Raw materials | 7-Chloroquinolin-4-ol |
| Preparation Products | 4-BROMO-7-CHLOROQUINOLINE-->7-Chloro-4-piperazinoquinoline-->Hydroxychloroquine-->CHLOROQUINE-->7-chloroquinoline-4-carboxylic acid-->4-Methoxyquinoline-->DESETHYL HYDROXY CHLOROQUINE-->N-(7-Chloro-4-quinolinyl)-N'-[2-[(7-chloro-4-quinolinyl)aMino]ethyl]-1,2-ethanediaMine-->Quinoline, 3,4,7-trichloro--->4-Chloro-5,6,7,8-tetrahydroquinoline-->4,7,8-TRICHLOROQUINOLINE-->Amodiaquine |
