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| CAS No.: | 870234-98-3 |
|---|---|
| Name: | 3,5-Difluoro-4-pyridinecarboxaldehyde |
| Molecular Structure: | |
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| Formula: | C6H3F2NO |
| Molecular Weight: | 143.0909 |
| Synonyms: | 3,5-Difluoropyridine-4-carboxaldehyde; |
| Density: | 1.393 g/cm3 |
| Melting Point: | 51-52oC |
| Boiling Point: | 168.653 °C at 760 mmHg |
| Flash Point: | 55.8 °C |
| PSA: | 29.96000 |
| LogP: | 1.17230 |
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- Total:31 Page 1 of 1 1
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Specification
The 4-Pyridinecarboxaldehyde,3,5-difluoro-, with CAS registry number 870234-98-3, belongs to the following product categories: (1)Pharmacetical; (2)Fluorinated; (3)Organohalides; (4)Pyridine. It has the systematic name of 3,5-difluoropyridine-4-carbaldehyde. And the chemical formula of this chemical is C6H3F2NO.
Physical properties of 4-Pyridinecarboxaldehyde,3,5-difluoro-: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 29.96 Å2; (7)Index of Refraction: 1.517; (8)Molar Refractivity: 31.085 cm3; (9)Molar Volume: 102.743 cm3; (10)Polarizability: 12.323×10-24cm3; (11)Surface Tension: 41.472 dyne/cm; (12)Density: 1.393 g/cm3; (13)Flash Point: 55.8 °C; (14)Enthalpy of Vaporization: 40.509 kJ/mol; (15)Boiling Point: 168.653 °C at 760 mmHg; (16)Vapour Pressure: 1.602 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c(F)cncc1F
(2)InChI: InChI=1/C6H3F2NO/c7-5-1-9-2-6(8)4(5)3-10/h1-3H
(3)InChIKey: RLAOKDGTZKSUJB-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H3F2NO/c7-5-1-9-2-6(8)4(5)3-10/h1-3H
(5)Std. InChIKey: RLAOKDGTZKSUJB-UHFFFAOYSA-N