| Weight | 110.116 g/mol |
|---|---|
| Formula | C5H6N2O |
| Hydrogen Acceptors | 2 |
| Hydrogen Donors | 1 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 1 |
5-methyl-1H-pyrazole-3-carbaldehyde (3273-44-7)
3273-44-7
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- 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)
- 5-(2-Hydroxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazole-1-carbaldehyde (Acta Crystallographica Section E-structure Reports Online, 2010)
- 3-Methyl-5-phen-oxy-1-phenyl-1H-pyrazole-4-carbaldehyde. (Acta Crystallographica Section E-structure Reports Online, 2011)
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Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 3273-44-7
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SMILESCC1=CC(=NN1)C=O
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InChIKeyCZAZDIRRZHGKBI-UHFFFAOYSA-N
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Safety
Alternate Names
Estimated Properties
| Boiling Point | 272.53 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 261.53 C | EPI Suite |
| Density | 1.22 g/cm3 | EPA T.E.S.T. |
| Flash Point | 122.12 C | EPA T.E.S.T. |
| Melting Point | 59.4 C | EPI Suite |
| Water Solubility | 7926.41 mg/L | EPA T.E.S.T. |
| Water Solubility | 182500 mg/L | EPI Suite |
External Links
Synthesis
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5-methyl-1H-pyrazole-3-carbaldehyde
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