1-Isoquinolinecarbonitrile CAS 1198-30-7
Introduction：Basic information about 1-Isoquinolinecarbonitrile CAS 1198-30-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
1-Isoquinolinecarbonitrile Basic information
| Product Name: | 1-Isoquinolinecarbonitrile |
| Synonyms: | ISOQUINOLINE-1-CARBONITRILE;1-CYANOISOQUINOLINE;1-ISOQUINOLINECARBONITRILE;TIMTEC-BB SBB002487;1-Cyanoisoquinoline 98%;ISOQUINOLIN-4-YLAMINE;soquinoline-1-carbonitrile;Isoquinaldinic nitrile |
| CAS: | 1198-30-7 |
| MF: | C10H6N2 |
| MW: | 154.17 |
| EINECS: | 627-280-2 |
| Product Categories: | Building Blocks;Chemical Synthesis;Heterocyclic Building Blocks;Quinolines, Isoquinolines & Quinoxalines;Quinoline&Isoquinoline;Quinolines, Isoquinolines & Quinoxalines;Building Blocks;Heterocyclic Building Blocks;Isoquinolines;Quinolines;Heterocyclic Series |
| Mol File: | 1198-30-7.mol |
1-Isoquinolinecarbonitrile Chemical Properties
| Melting point | 90-92 °C (lit.) |
| Boiling point | 348.9±15.0 °C(Predicted) |
| density | 1.21±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | -0.48±0.30(Predicted) |
| Appearance | White to off-white Solid |
| Water Solubility | Insoluble in water. |
| BRN | 119104 |
| InChI | InChI=1S/C10H6N2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H |
| InChIKey | HJHXYSBRTVFEDD-UHFFFAOYSA-N |
| SMILES | C1(C#N)C2=C(C=CC=C2)C=CN=1 |
| CAS DataBase Reference | 1198-30-7(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 26-37/39 |
| RIDADR | 3276 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 2933499090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Uses | 1-Isoquinolinecarbonitrile may be used as starting reagent in the syntheses of imidazo[5,1-a]isoquinolines. |
| Preparation | Phosphoryl chloride (0.54 g, 3.5 mmol) in chloroform (5 mL) was added dropwise to a solution of the requisite carbaldoxime (0.2 g, 1.2 mmol) in chloroform (10 mL) under ice-cooling. The mixture was heated under reflux for 4 h, treated with iced water, and the resulting precipitate was filtered off. The filtrate was basified with 28% ammonia and then extracted with chloroform to give 1-cyanoisoquinoline 1440; yield 0.17 g (95%). |
| Synthesis Reference(s) | The Journal of Organic Chemistry, 49, p. 4056, 1984 DOI: 10.1021/jo00195a036 Tetrahedron Letters, 19, p. 589, 1978 |
| General Description | Effect of magnetic field on the photosubstitution reaction of 1-isoquinolinecarbonitrile in ethanol has been reported. Conjugated polynitrile, plasma-polymerized 1-isoquinolinecarbonitrile (PPIQCN) has been prepared by plasma polymerization. |
1-Isoquinolinecarbonitrile Preparation Products And Raw materials
| Raw materials | POTASSIUM CYANIDE-->Tosyl chloride-->Isoquinoline-->DBU |
