1-Chloroisoquinoline

The 1-Chloroisoquinoline, with the CAS registry number 19493-44-8, is also known as Isoquinoline, 1-chloro-. It belongs to the product categories of Heterocyclic Series; Quinolines; Halogenated Heterocycles; Heterocyclic Building Blocks; Isoquinolines; Isoquinolines Building Blocks. This chemical's molecular formula is C₉H₆ClN and molecular weight is 163.60364. Its IUPAC name is called 1-chloroisoquinoline. What's more, the product should be sealed and stored in dry and well-ventilated place.

Physical properties of 1-Chloroisoquinoline: (1)ACD/LogP: 2.63; (2)ACD/LogD (pH 5.5): 2.63; (3)ACD/LogD (pH 7.4): 2.63; (4)ACD/BCF (pH 5.5): 58.49; (5)ACD/BCF (pH 7.4): 58.51; (6)ACD/KOC (pH 5.5): 640.43; (7)ACD/KOC (pH 7.4): 640.64; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.652; (10)Molar Refractivity: 47.08 cm³; (11)Molar Volume: 128.7 cm³; (12)Surface Tension: 49.3 dyne/cm; (13)Density: 1.27 g/cm³; (14)Flash Point: 158 °C; (15)Enthalpy of Vaporization: 49.23 kJ/mol; (16)Boiling Point: 274.5 °C at 760 mmHg; (17)Vapour Pressure: 0.00902 mmHg at 25°C.

Preparation of 1-Chloroisoquinoline: this chemical can be prepared by isoquinoline 2-oxide. This reaction will need reagents phosphoryl chloride and chloroform.

Uses of 1-Chloroisoquinoline: it can be used to produce 1-ethoxy-isoquinoline with ethanol; sodium salt. This reaction will need reagent ethanol.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=CN=C2Cl
(2)InChI: InChI=1S/C9H6ClN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
(3)InChIKey: MSQCQINLJMEVNJ-UHFFFAOYSA-N