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| CAS No.: | 69155-76-6 |
|---|---|
| Name: | 6-FLUORO-3-FORMYLCHROMONE |
| Article Data: | 26 |
| Molecular Structure: | |
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| Formula: | C10H5FO3 |
| Molecular Weight: | 192.146 |
| Synonyms: | TIMTEC-BB SBB005562;AKOS BBS-00001397;6-FLUORO-4-OXO-4H-CHROMENE-3-CARBALDEHYDE;6-FLUOROCHROMONE-3-CARBOXALDEHYDE;6-FLUORO-3-FORMYLCHROMONE;6-FLUOROCHROMONE-3-CARBOXALDEHYDE 97% |
| Density: | 1.526 g/cm3 |
| Melting Point: | 155-160 °C(lit.) |
| Boiling Point: | 313.7 °C at 760 mmHg |
| Flash Point: | 138.9 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 47.28000 |
| LogP: | 1.74460 |
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- Total:24 Page 1 of 1 1
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Specification
The 4H-1-Benzopyran-3-carboxaldehyde,6-fluoro-4-oxo-, with the CAS registry number of 69155-76-6, is also known as 6-Fluorochromone-3-carboxaldehyde. It belongs to the product category of Heterocyclic Compounds. Its molecular formula is C10H5FO3 and molecular weight is 192.14. What's more, its IUPAC name is 6-Fluoro-4-oxochromene-3-carbaldehyde.
Physical properties about the 4H-1-Benzopyran-3-carboxaldehyde,6-fluoro-4-oxo- are: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.658; (8)Molar Refractivity: 46.36 cm3; (9)Molar Volume: 125.8 cm3; (10)Surface Tension: 65.5 dyne/cm; (11)Density: 1.526 g/cm3; (12)Flash Point: 138.9 °C; (13)Enthalpy of Vaporization: 55.48 kJ/mol; (14)Boiling Point: 313.7 °C at 760 mmHg; (15)Vapour Pressure: 0.000489 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc2ccc1O/C=C(\C(=O)c1c2)C=O
(2) InChI: InChI=1/C10H5FO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H
(3) InChIKey: VHRMOTNEBIKURN-UHFFFAOYAD