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| CAS No.: | 387-97-3 |
|---|---|
| Name: | 5-FLUORO-8-HYDROXYQUINOLINE |
| Molecular Structure: | |
|
|
|
| Formula: | C9H6FNO |
| Molecular Weight: | 163.151 |
| Synonyms: | 5-Fluoro-8-quinolinol;5-Fluorooxine;NSC 74944;NSC 74945; |
| EINECS: | 223-418-7 |
| Density: | 1.366 g/cm3 |
| Melting Point: | 110 °C |
| Boiling Point: | 330.8 °C at 760 mmHg |
| Flash Point: | 153.9 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 33.12000 |
| LogP: | 2.07950 |
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Specification
The 8-Quinolinol,5-fluoro-, with CAS registry number 387-97-3, belongs to the following product categories: (1)Quinoline & Isoquinoline; (2)Haloquinolines; (3)Hydroxyquinolines; (4)Quinolines. It has the systematic name of 5-fluoroquinolin-8-ol. And the chemical formula of this chemical is C9H6FNO.
Physical properties of 8-Quinolinol,5-fluoro-: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 22.12 Å2; (7)Index of Refraction: 1.659; (8)Molar Refractivity: 44.06 cm3; (9)Molar Volume: 119.4 cm3; (10)Polarizability: 17.46×10-24cm3; (11)Surface Tension: 56.5 dyne/cm; (12)Density: 1.366 g/cm3; (13)Flash Point: 153.9 °C; (14)Enthalpy of Vaporization: 59.61 kJ/mol; (15)Boiling Point: 330.8 °C at 760 mmHg; (16)Vapour Pressure: 8.45E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(O)c2ncccc12
(2)InChI: InChI=1/C9H6FNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
(3)InChIKey: YHXLEKUJMPEQAJ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H6FNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
(5)Std. InChIKey: YHXLEKUJMPEQAJ-UHFFFAOYSA-N