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CAS No.: | 40273-47-0 |
---|---|
Name: | 3-FLUOROISONICOTINALDEHYDE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C6H4FNO |
Molecular Weight: | 125.102 |
Synonyms: | 3-Fluoro-4-formylpyridine;3-Fluoro-4-picolinaldehyde;3-Fluoro-4-pyridinecarboxaldehyde;3-Fluoroisonicotinaldehyde; |
EINECS: | 627-608-4 |
Density: | 1.27 g/cm3 |
Boiling Point: | 190.808 °C at 760 mmHg |
Flash Point: | 69.198 °C |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 22-36/37/38-43 |
Safety: | 26-36/37 |
PSA: | 29.96000 |
LogP: | 1.03320 |
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This chemnical is an organic compound with the formula C6H4FNO. The IUPAC name of this chemical is 3-fluoropyridine-4-carbaldehyde. With the CAS registry number 40273-47-0, it is also named as 3-Fluoro-4-pyridinecarboxaldehyde. The product's categories are Pyridine; Blocks; Fluoro Compounds; Pyridines; Pharmacetical; Building Blocks; Fluorinated; C6; Heterocyclic Building Blocks.
The other characteristics of 3-Fluoropyridine-4-carboxaldehyde can be summarized as: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.259; (4)ACD/LogD (pH 7.4): 0.259; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.953; (8)ACD/KOC (pH 7.4): 32.954; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 31.091 cm3; (14)Molar Volume: 98.533 cm3; (15)Polarizability: 12.325×10-24 cm3; (16)Surface Tension: 43.884 dyne/cm; (17)Enthalpy of Vaporization: 42.701 kJ/mol; (18)Vapour Pressure: 0.531 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 125.027692; (21)MonoIsotopic Mass: 125.027692; (22)Topological Polar Surface Area: 30; (23)Heavy Atom Count: 9; (24)Complexity: 107.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and gloves.
People can use the following data to convert to the molecule structure.
1. SMILES:c1cncc(c1C=O)F
2. InChI:InChI=1/C6H4FNO/c7-6-3-8-2-1-5(6)4-9/h1-4H
3. InChIKey:KLKQXQXSZCNWLZ-UHFFFAOYAC