| Identification | |
| Name: | 6-Chloroisoquinoline |
| Synonyms: | isoquinoline, 6-chloro-;MFCD09991646; |
| CAS: | 62882-02-4 |
| Molecular Formula: | C9H6ClN |
| Molecular Weight: | 163.60 |
| InChI: | InChI=1/C9H6ClN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.27 g/cm3 |
| Refractive index: | 1.652 |
| Specification: |
The 6-Chloroisoquinoline, with the CAS registry number 62882-02-4, is also called isoquinoline, 6-chloro-. It belongs to the product category of isoquinoline. And the molecular formula of the chemical is C9H6ClN. The characteristics of this chemical are as followings: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.55; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 12.89 Å2; (9)Index of Refraction: 1.652; (10)Molar Refractivity: 47.08 cm3; (11)Molar Volume: 128.7 cm3; (12)Polarizability: 18.66×10-24cm3; (13)Surface Tension: 49.3 dyne/cm; (14)Density: 1.27 g/cm3; (15)Flash Point: 156.4 °C; (16)Enthalpy of Vaporization: 50.76 kJ/mol; (17)Boiling Point: 289.5 °C at 760 mmHg; (18)Vapour Pressure: 0.00382 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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