Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Chloroisoquinoline |
EINECS | -0 |
CAS No. | 1532-91-8 | Density | 1.271 g/cm3 |
PSA | 12.89000 | LogP | 2.88820 |
Solubility | N/A | Melting Point |
27.5-29.5 °C |
Formula | C9H6ClN | Boiling Point | 276.204 °C at 760 mmHg |
Molecular Weight | 163.606 | Flash Point | 147.383 °C |
Transport Information | N/A | Appearance | Pale yellow solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Chloroisoquinoline; |
Article Data | 10 |
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.
1.SMILES: c1ccc2c(c1)cncc2Cl
2.InChI: InChI=1/C9H6ClN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H
3.InChIKey: LBEQEEIDWHKVAR-UHFFFAOYAP
4.Std. InChI: InChI=1S/C9H6ClN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H