3-Methyl-5-pyrazolone - CAS 108-26-9
Catalog: |
BB002216 |
Product Name: |
3-Methyl-5-pyrazolone |
CAS: |
108-26-9 |
Synonyms: |
3-methyl-1,4-dihydropyrazol-5-one |
IUPAC Name: | 3-methyl-1,4-dihydropyrazol-5-one |
Description: | 3-Methyl-5-pyrazolone (CAS# 108-26-9) is a useful research chemical. |
Molecular Weight: | 98.10 |
Molecular Formula: | C4H6N2O |
Canonical SMILES: | CC1=NNC(=O)C1 |
InChI: | InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H2,1H3,(H,6,7) |
InChI Key: | NHLAPJMCARJFOG-UHFFFAOYSA-N |
Boiling Point: | 309.7 °C at 760 mmHg |
Melting Point: | 220-224 °C |
Purity: | 95 % |
Density: | 1.33 g/cm3 |
Appearance: | Pale white crystal powder |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00020699 |
LogP: | -0.35340 |
GHS Hazard Statement: | H400 (94.62%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
Precautionary Statement: | P273, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021028982-A | Conductive compositions, thermoelectric conversion materials, and thermoelectric conversion elements | 20201104 |
JP-2021155844-A | Metallic film manufacturing method and metallic film | 20200327 |
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PMID | Publication Date | Title | Journal |
22014995 | 20111201 | Solvent-free, microwave assisted Knoevenagel condensation of novel 2,5-disubstituted indole analogues and their biological evaluation | European journal of medicinal chemistry |
20877248 | 20100920 | Green one pot solvent-free synthesis of pyrano[2,3-c]-pyrazoles and pyrazolo[1,5-a]pyrimidines | Molecules (Basel, Switzerland) |
17168587 | 20061222 | Tautomerism-dependent ring construction of N-heterocyclic compounds from the reactions of 1-alkynyl Fischer carbene complexes and substituted pyrazolinones | The Journal of organic chemistry |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 98.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 98.048012819 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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