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| CAS No.: | 153034-82-3 |
|---|---|
| Name: | 4-Iodo-2-fluoro-3-formylpyridine |
| Article Data: | 5 |
| Molecular Structure: | |
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|
|
| Formula: | C6H3FINO |
| Molecular Weight: | 250.999 |
| Synonyms: | 2-Fluoro-4-iodo-3-pyridinecarboxaldehyde; |
| Density: | 2.081 g/cm3 |
| Boiling Point: | 304.229 °C at 760 mmHg |
| Flash Point: | 137.793 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 29.96000 |
| LogP: | 1.63780 |
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Specification
The 4-Iodo-2-fluoro-3-formylpyridine, with the CAS registry number 153034-82-3, is also known as 2-Fluoro-4-iodonicotinaldehyde. It belongs to the product categories of Pyridine;Pyridines. This chemical's molecular formula is C6H3FINO and molecular weight is 251.00. What's more, its IUPAC name is called 2-Fluoro-4-iodopyridine-3-carbaldehyde. 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 4-Iodo-2-fluoro-3-formylpyridine are: (1)ACD/LogP: 1.806; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 13.89; (6)ACD/BCF (pH 7.4): 13.89; (7)ACD/KOC (pH 5.5): 228.86; (8)ACD/KOC (pH 7.4): 228.86; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 43.998 cm3; (15)Molar Volume: 120.606 cm3; (16)Polarizability: 17.442×10-24 cm3; (17)Surface Tension: 55.52 dyne/cm; (18)Density: 2.081 g/cm3; (19)Flash Point: 137.793 °C; (20)Enthalpy of Vaporization: 54.458 kJ/mol; (21)Boiling Point: 304.229 °C at 760 mmHg; (22)Vapour Pressure: 0.00100 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cnc(c(c1I)C=O)F
(2) InChI: InChI=1S/C6H3FINO/c7-6-4(3-10)5(8)1-2-9-6/h1-3H
(3) InChIKey: VONGIOGTLFSXDE-UHFFFAOYSA-N