6-Bromo-1,3-dichloroisoquinoline

The 6-Bromo-1,3-dichloroisoquinoline with the CAS number 552331-05-2 is also called Isoquinoline,6-bromo-1,3-dichloro-. Its molecular formula is C₉H₄BrCl₂N. This chemical belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Heterocycles; (4)Quinolines; (5)Quinoline&Isoquinoline; (6)Isoquinolines Building Blocks; (7)Halogenated Heterocycles; (8)Heterocyclic Building Blocks; (9)Isoquinolines.

The properties of the 6-Bromo-1,3-dichloroisoquinoline are: (1)ACD/LogP: 3.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 747; (6)ACD/BCF (pH 7.4): 747; (7)ACD/KOC (pH 5.5): 3966; (8)ACD/KOC (pH 7.4): 3966; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 59.667 cm³; (15)Molar Volume: 156.859 cm³; (16)Polarizability: 23.654×10^-24cm³; (17)Surface Tension: 55.164 dyne/cm; (18)Enthalpy of Vaporization: 60.717 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is toxic if swallowed. It is irritating to respiratory system and skin. In addition, this chemical is risk of serious damage to the eyes. Therefore, you should take the following instructions. Firstly, you should wear eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nc(Cl)cc1cc(Br)ccc12
(2)InChI: InChI=1/C9H4BrCl2N/c10-6-1-2-7-5(3-6)4-8(11)13-9(7)12/h1-4H
(3)InChIKey: YRSSIZNHQQNESH-UHFFFAOYAR