3-Methyl-3-pyrazolin-5-one - CAS 4344-87-0
Catalog: |
BB025412 |
Product Name: |
3-Methyl-3-pyrazolin-5-one |
CAS: |
4344-87-0 |
Synonyms: |
5-methyl-1,2-dihydropyrazol-3-one |
IUPAC Name: | 5-methyl-1,2-dihydropyrazol-3-one |
Description: | 3-Methyl-3-pyrazolin-5-one (CAS# 4344-87-0) is a useful research chemical. |
Molecular Weight: | 98.10 |
Molecular Formula: | C4H6N2O |
Canonical SMILES: | CC1=CC(=O)NN1 |
InChI: | InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7) |
InChI Key: | WGVHNCAJPFIFCR-UHFFFAOYSA-N |
Melting Point: | 223-225 °C |
Purity: | 95 % |
Density: | 1.33 g/cm3 |
Appearance: | Crystals |
MDL: | MFCD00010705 |
LogP: | 0.01140 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112975580-A | Surface strengthening treatment method of neodymium iron boron permanent magnet and application thereof | 20210204 |
JP-2021021031-A | Rubber compositions, tires, and rubber additives | 20190730 |
CN-110183392-A | A kind of preparation method and its usage and intermediate of 3- substituted-phenyl -4,5- dihydro-isoxazole derivative | 20190614 |
JP-2020200358-A | Rubber composition and tires | 20190606 |
CN-109651343-A | A kind of Fipronil pyrazoles alcohol cyclic imides compound and its microwave-hydrothermal method method and application | 20190107 |
PMID | Publication Date | Title | Journal |
22798860 | 20120701 | 5-Methyl-1-[(4-methyl-phen-yl)sulfon-yl]-1H-pyrazol-3-yl 4-methyl-benzene-sulfonate | Acta crystallographica. Section E, Structure reports online |
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 |
12659121 | 20020201 | A highly efficient photochemical bromination as a new method for preparation of mono, bis and fused pyrazole derivatives | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 98.048012819 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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Pyrazoles
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