| Weight | 266.275 g/mol |
|---|---|
| Formula | C16H11FN2O |
| Hydrogen Acceptors | 3 |
| Hydrogen Donors | 0 |
| Aromatic Rings | 3 |
| Rotatable Bonds | 3 |
3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde (36640-40-1)
36640-40-1
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- Infrared spectrum, structural and optical properties and molecular docking study of 3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbaldehyde (Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2015)
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Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 36640-40-1
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SMILESC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C=O
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InChIKeyAQESLSBUZSGPEX-UHFFFAOYSA-N
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Safety
Alternate Names
Estimated Properties
| Boiling Point | 370.06 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 410.41 C | EPI Suite |
| Density | 1.3 g/cm3 | EPA T.E.S.T. |
| Flash Point | 217.64 C | EPA T.E.S.T. |
| Melting Point | 155.51 C | EPI Suite |
| Water Solubility | 1.51 mg/L | EPA T.E.S.T. |
| Water Solubility | 29.257 mg/L | EPI Suite |
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