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| CAS No.: | 860626-80-8 |
|---|---|
| Name: | 4-Fluoropyridine-3-boronic acid |
| Molecular Structure: | |
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| Formula: | C5H5BFNO2 |
| Molecular Weight: | 140.91 |
| Synonyms: | (4-fluoropyridin-3-yl)boronic acid;Boronic acid,B-(4-fluoro-3-pyridinyl)-; |
| Density: | 1.34 g/cm3 |
| Boiling Point: | 308.8 °C at 760 mmHg |
| Flash Point: | 140.6 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 53.35000 |
| LogP: | -1.09950 |
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- Total:19 Page 1 of 1 1
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Specification
The 4-Fluoropyridine-3-boronic acid, with the CAS registry number 860626-80-8, is also known as Boronic acid,B-(4-fluoro-3-pyridinyl)-. The IUPAC name of this chemical is (4-fluoropyridin-3-yl)boronic acid. In addition, the formula is C5H5BFNO2 and the molecular weight is 140.9081. It has irritant.
Physical properties about 4-Fluoropyridine-3-boronic acid are: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.01; (4)ACD/LogD (pH 7.4): -1.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.78; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 31.35 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 31.19 cm3; (15)Molar Volume: 104.8 cm3; (16)Polarizability: 12.36 ×10-24cm3; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 140.6 °C; (20)Enthalpy of Vaporization: 58.02 kJ/mol; (21)Boiling Point: 308.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000287 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccncc1B(O)O
(2)InChI: InChI=1/C5H5BFNO2/c7-5-1-2-8-3-4(5)6(9)10/h1-3,9-10H
(3)InChIKey: FJHZOURNTIVCIA-UHFFFAOYAR