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| CAS No.: | 851484-95-2 |
|---|---|
| Name: | 2-CHLORO-5-FLUORO-PYRIDINE-3-CARBALDEHYDE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H3ClFNO |
| Molecular Weight: | 159.547 |
| Synonyms: | 2-Chloro-5-fluoropyridine-3-carboxaldehyde; |
| Density: | 1.444 g/cm3 |
| Boiling Point: | 224.378 °C at 760 mmHg |
| Flash Point: | 89.501 °C |
| PSA: | 29.96000 |
| LogP: | 1.68660 |
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- Total:30 Page 1 of 1 1
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Specification
The 3-Pyridinecarboxaldehyde,2-chloro-5-fluoro-, with the CAS registry number 851484-95-2, is also known as 2-Chloro-5-fluoronicotinaldehyde. This chemical's molecular formula is C6H3ClFNO and molecular weight is 159.55. What's more, both its IUPAC name and systematic name are the same which is called 2-Chloro-5-fluoropyridine-3-carbaldehyde.
Physical properties about 3-Pyridinecarboxaldehyde,2-chloro-5-fluoro- are: (1) ACD/LogP: 1.09; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.093; (4) ACD/LogD (pH 7.4): 1.093; (5) ACD/BCF (pH 5.5): 3.986; (6) ACD/BCF (pH 7.4): 3.986; (7) ACD/KOC (pH 5.5): 93.639; (8) ACD/KOC (pH 7.4): 93.639; (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: 1.565; (14) Molar Refractivity: 35.986 cm3; (15) Molar Volume: 110.484 cm3; (16) Surface Tension: 47.124 dyne/cm; (17) Density: 1.444 g/cm3; (18) Flash Point: 89.501 °C; (19) Enthalpy of Vaporization: 46.088 kJ/mol; (20) Boiling Point: 224.378 °C at 760 mmHg; (21) Vapour Pressure: 0.091 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cnc(c1C=O)Cl)F
(2) InChI: InChI=1/C6H3ClFNO/c7-6-4(3-10)1-5(8)2-9-6/h1-3H
(3) InChIKey: IMQFWCDQEAIYJV-UHFFFAOYAF