| Identification | |
| Name: | Isoquinoline, 4-chloro- |
| Synonyms: | 4-Chloroisoquinoline; |
| CAS: | 1532-91-8 |
| Molecular Formula: | C9H6ClN |
| Molecular Weight: | 163.61 |
| InChI: | InChI=1/C9H6ClN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.271 g/cm3 |
| Refractive index: | 1.652 |
| Appearance: | Pale yellow solid |
| Specification: |
The Systematic name about this chemical is 4-Chloroisoquinoline. The cas register number of 4-Chloroisoquinoline is 1532-91-8. It also can be called as isoquinoline, 4-chloro-. Physical properties about 4-Chloroisoquinoline are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.686; (4)ACD/LogD (pH 7.4): 2.689; (5)ACD/BCF (pH 5.5): 64.67; (6)ACD/BCF (pH 7.4): 65.075; (7)ACD/KOC (pH 5.5): 686.958; (8)ACD/KOC (pH 7.4): 691.269; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89Å2; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 47.082 cm3; (15)Molar Volume: 128.724 cm3; (16)Surface Tension: 49.319 dyne/cm; (17)Density: 1.271 g/cm3; (18)Flash Point: 147.383 °C; (19)Enthalpy of Vaporization: 49.4 kJ/mol; (20)Boiling Point: 276.204 °C at 760 mmHg; (21)Vapour Pressure: 0.008 mmHg at 25°C. People can use the following data to convert to the molecule structure. |
| Safety Data | |
 |
|
