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| CAS No.: | 875781-15-0 |
|---|---|
| Name: | 5-Bromo-2-fluoropyridine-3-carboxaldehyde |
| Molecular Structure: | |
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| Formula: | C6H3BrFNO |
| Molecular Weight: | 203.998 |
| Synonyms: | 5-Bromo-2-fluoropyridine-3-carboxaldehyde; |
| Density: | 1.778 g/cm3 |
| Boiling Point: | 258.168 °C at 760 mmHg |
| Flash Point: | 109.936 °C |
| Safety: | 24/25 |
| PSA: | 29.96000 |
| LogP: | 1.79570 |
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Specification
The 3-Pyridinecarboxaldehyde,5-bromo-2-fluoro- is an organic compound with the formula C6H3BrFNO. The IUPAC name of this chemical is 5-bromo-2-fluoropyridine-3-carbaldehyde. With the CAS registry number 875781-15-0, it is also named as 5-Bromo-2-fluoronicotinaldehyde. The product's categories are Building Blocks; Pyridine.
Physical properties about 3-Pyridinecarboxaldehyde,5-bromo-2-fluoro- are: (1)ACD/LogP: 1.18; (2)ACD/LogD (pH 5.5): 1.178; (3)ACD/LogD (pH 7.4): 1.178; (4)ACD/BCF (pH 5.5): 4.629; (5)ACD/BCF (pH 7.4): 4.629; (6)ACD/KOC (pH 5.5): 104.23; (7)ACD/KOC (pH 7.4): 104.23; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.96 Å2; (11)Index of Refraction: 1.591; (12)Molar Refractivity: 38.781 cm3; (13)Molar Volume: 114.718 cm3; (14)Polarizability: 15.374×10-24cm3; (15)Surface Tension: 49.379 dyne/cm; (16)Density: 1.778 g/cm3; (17)Flash Point: 109.936 °C; (18)Enthalpy of Vaporization: 49.576 kJ/mol; (19)Boiling Point: 258.168 °C at 760 mmHg; (20)Vapour Pressure: 0.014 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnc(c1C=O)F)Br
(2)InChI: InChI=1/C6H3BrFNO/c7-5-1-4(3-10)6(8)9-2-5/h1-3H
(3)InChIKey: MUYVOGAJRCBWCY-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H3BrFNO/c7-5-1-4(3-10)6(8)9-2-5/h1-3H
(5)Std. InChIKey: MUYVOGAJRCBWCY-UHFFFAOYSA-N