6-Bromoisoquinoline CAS 34784-05-9
Introduction：Basic information about 6-Bromoisoquinoline CAS 34784-05-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
6-Bromoisoquinoline Basic information
| Product Name: | 6-Bromoisoquinoline |
| Synonyms: | 6-BROMOISOQUINOLINE;NSC 229320;Isoquinoline, 6-bromo-;6-Bromo-2-azanaphthalene;6-Bromoisoquinoline ,97%;6-Bromoisoquinoline ,99%;6-BroMoisoquinoline Monohydrate;6-Bromoisoqinoline |
| CAS: | 34784-05-9 |
| MF: | C9H6BrN |
| MW: | 208.05 |
| EINECS: | 662-848-3 |
| Product Categories: | Building Blocks;Isoquinoline;Halides;Quinolines, Isoquinolines & Quinoxalines;Isoquinoline Derivertives;Quinolines;Quinoline series;Heterocyclic Series;Quinolines, Isoquinolines & Quinoxalines |
| Mol File: | 34784-05-9.mol |
6-Bromoisoquinoline Chemical Properties
| Melting point | 44.0 to 48.0 °C |
| Boiling point | 312.3±15.0 °C(Predicted) |
| density | 1.564±0.06 g/cm3(Predicted) |
| Fp | >110℃ |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS (pH 7.2) (1:8): .5 mg/ml |
| pka | 4.83±0.10(Predicted) |
| form | Crystalline Powder |
| color | White |
| λmax | 320nm(CHCl3)(lit.) |
| InChI | InChI=1S/C9H6BrN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H |
| InChIKey | ZTEATMVVGQUULZ-UHFFFAOYSA-N |
| SMILES | C1C2=C(C=C(Br)C=C2)C=CN=1 |
| CAS DataBase Reference | 34784-05-9(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi,Xn |
| Risk Statements | 22-36-20/21/22 |
| Safety Statements | 26-36/37/39-24/25 |
| WGK Germany | 1 |
| HS Code | 29334900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 |
| Uses | 6-Bromoisoquinoline is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
| Synthesis | Add the catalyst and p-bromoaniline to the dilute sulfuric acid, and add glycerol dropwise while controlling the temperature to 140-145°C. After the dropwise addition is completed, the dehydration reaction occurs at 140-145°C for 3 hours. Add the above reaction liquid dropwise to ice water, and then add ammonia water dropwise to adjust the pH of the system. Extract the reaction solution with toluene, concentrate the toluene phase at 150~155℃/15mmHg, and then distill the crude product to obtain the product 6-bromoisoquinoline. |
| References | [1] Patent: WO2015/181676, 2015, A1. Location in patent: Page/Page column 132-133 [2] Dalton Transactions, 2015, vol. 44, # 18, p. 8552 - 8563 [3] Molecules, 2017, vol. 22, # 8, [4] Journal of the Chemical Society. Perkin Transactions 2, 1998, # 2, p. 437 - 447 |
6-Bromoisoquinoline Preparation Products And Raw materials
| Raw materials | Ethanol-->Hydrochloric acid-->Tetrahydrofuran-->Dichloromethane-->Toluene-->Triethylamine-->Sodium bicarbonate-->Pyridine-->Aluminum chloride-->Sodium borohydride-->p-Toluenesulfonic acid-->Tosyl chloride-->Ethyl chloroformate-->Titanium tetrachloride-->Trimethyl phosphite-->4-Bromobenzaldehyde-->Aminoacetaldehyde dimethyl acetal-->Potassium sodium tartrate tetrahydrate |
