| Weight | 172.187 g/mol |
|---|---|
| Formula | C10H8N2O |
| Hydrogen Acceptors | 3 |
| Hydrogen Donors | 0 |
| Aromatic Rings | 2 |
| Rotatable Bonds | 2 |
1-Phenyl-1H-pyrazole-4-carbaldehyde (54605-72-0)
54605-72-0
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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)
- Synthesis, antimicrobial, analgesic activity, and molecular docking studies of novel 1-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-phenyl-1H- pyrazole-4-carbaldehyde derivatives (Medicinal Chemistry Research, 2013)
- Synthesis and Crystal Structure of 5-Chloro-3-Methyl-1-Phenyl-1H-Pyrazole-4-Carbaldehyde (Journal of Chemical Crystallography, 2011)
- 3-(4-Methylphenyl)-5-[4-(methylthio)phenyl]-4,5-dihydro-1H-pyrazole-1-carbaldehyde (Acta Crystallographica Section E: Crystallographic Communications, 2007)
- Infrared, Raman and NMR spectra, conformational stability, normal coordinate analysis and B3LYP calculations of 5-Amino-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde (Journal of Molecular Structure, 2013)
- Two different products from the reaction of 1-aryl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde with cyclohexylamine when the aryl substituent is phenyl or pyridin-2-yl: hydrogen-bonded sheets versus dimers. (Acta Crystallographica Section C-crystal Structure Communications, 2015)
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Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 54605-72-0
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SMILESC1=CC=C(C=C1)N2C=C(C=N2)C=O
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InChIKeyPHVRLPFVPVKYOI-UHFFFAOYSA-N
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Safety
Alternate Names
Estimated Properties
| Boiling Point | 294.15 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 311.75 C | EPI Suite |
| Density | 1.21 g/cm3 | EPA T.E.S.T. |
| Flash Point | 148.71 C | EPA T.E.S.T. |
| Melting Point | 89.78 C | EPI Suite |
| Water Solubility | 153.21 mg/L | EPA T.E.S.T. |
| Water Solubility | 5774.2 mg/L | EPI Suite |
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Synthesis
Similar Compounds
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