Isoquinoline

(Isoquinoline) [119-65-3] C9H7N (MW 129.16) InChI = 1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H InChIKey = AWJUIBRHMBBTKR-UHFFFAOYSA-N (synthetic building block predominately used in the synthesis of natural products and medicinal agents related to alkaloids) Physical Data: bp 242.2 °C at 743 mm Hg; mp 26.48 °C; d 1.0986 g mL−1 at 20 °C; 1.6148; pKa 5.40. Solubility: soluble in ethanol, diethyl ether, acetone, benzene, and dilute acids. Form Supplied in: light yellow hydroscopic platelets; widely available. Purification: can be dried with 5Å molecular sieves or Na2SO4 and fractionally distilled. Handling, Storage, and Precautions: isoquinoline should be used only in a well-ventilated fume hood and stored in a tightly closed container in a dry well-ventilated place. It is incompatible with strong oxidizing agents and strong acids. Avoid inhalation and contact with skin and eyes. It can be absorbed through the skin thus appropriate gloves should be worn when handling isoquinoline. Toxicity: (oral) rat LD50 615 mg kg−1, (dermal) rat LD50 180 mg kg−1, guppy LC50 14 mg L−1, water flee LC50 25.1 mg L−1.