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CAS No.: | 63010-70-8 |
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Name: | 8-FLUORO-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C10H6FNO3 |
Molecular Weight: | 207.161 |
Synonyms: | 8-Fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; |
Density: | 1.517 g/cm3 |
Melting Point: | 302 °C(Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5)) |
Boiling Point: | 354.9 °C at 760 mmHg |
Flash Point: | 168.4 °C |
Hazard Symbols: | Xi |
PSA: | 70.42000 |
LogP: | 1.77770 |
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The 3-Quinolinecarboxylicacid, 8-fluoro-4-hydroxy-, with the CAS registry number 63010-70-8, is also known as 8-Fluoro-4-hydroxyquinoline-3-carboxylic acid. It belongs to the product categories of Acids and Derivatives; Heterocycles. This chemical's molecular formula is C10H6FNO3 and molecular weight is 207.16. What's more, its systematic name is called 8-Fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 3-Quinolinecarboxylicacid, 8-fluoro-4-hydroxy- are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): -0.19; (5)ACD/BCF (pH 5.5): 6.54; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 86.73; (8)ACD/KOC (pH 7.4): 1.46; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 47.6 cm3; (15)Molar Volume: 136.5 cm3; (16)Surface Tension: 59.6 dyne/cm; (17)Density: 1.517 g/cm3; (18)Flash Point: 168.4 °C; (19)Enthalpy of Vaporization: 63.31 kJ/mol; (20)Boiling Point: 354.9 °C at 760 mmHg; (21)Vapour Pressure: 1.19E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cccc2c1N/C=C(\C2=O)C(=O)O
(2) InChI: InChI=1/C10H6FNO3/c11-7-3-1-2-5-8(7)12-4-6(9(5)13)10(14)15/h1-4H,(H,12,13)(H,14,15)
(3) InChIKey: IZUDOGPKKWBGKI-UHFFFAOYAB