Products Categories
CAS No.: | 137-44-0 |
---|---|
Name: | 1,3,5PYRAZOLONE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C3H4N2O |
Molecular Weight: | 84.0776 |
Synonyms: | 2-Pyrazolin-5-one(6CI,7CI,8CI);1H-Pyrazol-5(4H)-one;2,4-Dihydro-3H-pyrazol-3-one;5-Pyrazolone;NSC 243823; |
Density: | 1.44 g/cm3 |
Melting Point: | 268℃ |
Boiling Point: | 143-144℃ (0.3 Torr) |
PSA: | 41.46000 |
LogP: | -0.74350 |
The 3H-Pyrazol-3-one,2,4-dihydro- is an organic compound with the formula C3H4N2O. The IUPAC name of this chemical is 1,4-dihydropyrazol-5-one. With the CAS registry number 137-44-0, it is also named as 2,4-Dihydro-3H-pyrazol-3-one.
Physical properties about 3H-Pyrazol-3-one,2,4-dihydro- are: (1)ACD/LogP: -0.97; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 7.06; (5)ACD/KOC (pH 7.4): 7.07; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)Polar Surface Area: 32.67 Å2; (9)Index of Refraction: 1.63; (10)Molar Refractivity: 20.77 cm3; (11)Molar Volume: 58.3 cm3; (12)Polarizability: 8.23×10-24cm3; (13)Surface Tension: 57.2 dyne/cm; (14)Density: 1.44 g/cm3.
Uses of 3H-Pyrazol-3-one,2,4-dihydro-: it can be used to produce 2-methyl-2,4-dihydro-pyrazol-3-one. This reaction is a kind of Methylation. It will need catalyst ZrO2 with reaction time of 24 hours. The yield is about 41.3%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N/N=C\C1
(2)InChI: InChI=1/C3H4N2O/c6-3-1-2-4-5-3/h2H,1H2,(H,5,6)
(3)InChIKey: ZRHUHDUEXWHZMA-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h2H,1H2,(H,5,6)
(5)Std. InChIKey: ZRHUHDUEXWHZMA-UHFFFAOYSA-N