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| CAS No.: | 31181-88-1 |
|---|---|
| Name: | 2-BROMO-3-FLUOROPYRIDINE |
| Molecular Structure: | |
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| Formula: | C6H4FNO |
| Molecular Weight: | 125.102 |
| Synonyms: | Picolinaldehyde,5-fluoro- (8CI);5-Fluoro-2-formylpyridine; |
| Density: | 1.27 g/cm3 |
| Boiling Point: | 173.556 °C at 760 mmHg |
| Flash Point: | 58.765 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 22 |
| PSA: | 29.96000 |
| LogP: | 1.03320 |
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Specification
The CAS register number of 5-Fluoropyridine-2-carboxaldehyde is 31181-88-1. It also can be called as 2-Pyridinecarboxaldehyde,5-fluoro- and the IUPAC name about this chemical is 5-fluoropyridine-2-carbaldehyde. The molecular formula about this chemical is C6H4FNO and the molecular weight is 125.10. It belongs to the following product categories which include Pyridine; pharmacetical; Aldehyde; Building Blocks and so on.
Physical properties about 5-Fluoropyridine-2-carboxaldehyde are: (1)ACD/LogP: 0.59; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 50; (7)ACD/KOC (pH 7.4): 50; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.96Å2; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 31.091 cm3; (13)Molar Volume: 98.533 cm3; (14)Polarizability: 12.325x10-24cm3; (15)Surface Tension: 43.884 dyne/cm; (16)Flash Point: 58.765 °C; (17)Enthalpy of Vaporization: 40.991 kJ/mol; (18)Boiling Point: 173.556 °C at 760 mmHg; (19)Vapour Pressure: 1.26 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=NC=C1F)C=O
(2)InChI: InChI=1S/C6H4FNO/c7-5-1-2-6(4-9)8-3-5/h1-4H
(3)InChIKey: IACCXWQKIQUVFQ-UHFFFAOYSA-N