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| CAS No.: | 59611-52-8 |
|---|---|
| Name: | 6-Fluoro-1,2,3,4-tetrahydroquinoline |
| Molecular Structure: | |
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| Formula: | C9H10FN |
| Molecular Weight: | 151.184 |
| Synonyms: | 6-FLUORO-1,2,3,4-TETRAHYDROQUINOLINE |
| Density: | 1.108 g/cm3 |
| Melting Point: | 32-34℃ |
| Boiling Point: | 248.042 °C at 760 mmHg |
| Flash Point: | 103.813 °C |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 12.03000 |
| LogP: | 2.32180 |
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Specification
The CAS registry number of 6-Fluoro-1,2,3,4-tetrahydroquinoline is 59611-52-8. Its molecular formula is C9H10FN and molecular weight is 151.1808. Its systematic name is called 6-fluoro-1,2,3,4-tetrahydroquinoline.
Physical properties about 6-Fluoro-1,2,3,4-tetrahydroquinoline are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 49; (6)ACD/BCF (pH 7.4): 70; (7)ACD/KOC (pH 5.5): 509; (8)ACD/KOC (pH 7.4): 730; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.524; (13)Molar Refractivity: 41.769 cm3; (14)Molar Volume: 136.506 cm3; (15)Surface Tension: 35.599 dyne/cm; (16)Density: 1.108 g/cm3; (17)Flash Point: 103.813 °C; (18)Enthalpy of Vaporization: 48.522 kJ/mol; (19)Boiling Point: 248.042 °C at 760 mmHg; (20)Vapour Pressure: 0.025 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc2NCCCc2c1
(2)InChI: InChI=1/C9H10FN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5H2
(3)InChIKey: NECDDBBJVCNJNS-UHFFFAOYAJ