| Weight | 186.214 g/mol |
|---|---|
| Formula | C11H10N2O |
| Hydrogen Acceptors | 3 |
| Hydrogen Donors | 0 |
| Aromatic Rings | 2 |
| Rotatable Bonds | 2 |
3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde (21487-48-9)
21487-48-9
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Most-cited Publications
- Synthesis and Crystal Structure of 5-Chloro-3-Methyl-1-Phenyl-1H-Pyrazole-4-Carbaldehyde (Journal of Chemical Crystallography, 2011)
- 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)
- 5-Amino-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde hemihydrate: a polarized electronic structure within hydrogen-bonded sheets of R(10)(8)(34) rings. (Acta Crystallographica Section C-crystal Structure Communications, 2010)
- 3-Methyl-5-phen-oxy-1-phenyl-1H-pyrazole-4-carbaldehyde. (Acta Crystallographica Section E-structure Reports Online, 2011)
- Crystal structure of 3-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde, a rare Z' = 3 structure, C20H17N5O (Zeitschrift Fur Kristallographie-new Crystal Structures, 2017)
Alternate Names
- 21487-48-9
-
SMILESCC1=NN(C=C1C=O)C2=CC=CC=C2
-
InChIKeyCVCOOKQWHMGEDQ-UHFFFAOYSA-N
Estimated Properties
| Boiling Point | 305.87 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 325.24 C | EPI Suite |
| Density | 1.18 g/cm3 | EPA T.E.S.T. |
| Flash Point | 147.38 C | EPA T.E.S.T. |
| Melting Point | 101.63 C | EPI Suite |
| Water Solubility | 271.81 mg/L | EPA T.E.S.T. |
| Water Solubility | 1862.7 mg/L | EPI Suite |
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