3H-Pyrazol-3-one,2,4-dihydro- supplier

Name
1,3,5PYRAZOLONE
EINECS
CAS No. 137-44-0
Article Data5
CAS DataBase
Density 1.44 g/cm³
Solubility
Melting Point 268℃
Formula C₃H₄N₂O
Boiling Point 143-144℃ (0.3 Torr)
Molecular Weight 84.0776
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pyrazolin-5-one(6CI,7CI,8CI);1H-Pyrazol-5(4H)-one;2,4-Dihydro-3H-pyrazol-3-one;5-Pyrazolone;NSC 243823;
PSA 41.46000
LogP -0.74350

3H-Pyrazol-3-one,2,4-dihydro- Specification

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%.

3H-Pyrazol-3-one,2,4-dihydro- and methanol can be used to produce 2-methyl-2,4-dihydro-pyrazol-3-one

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

Product Name

1,3,5PYRAZOLONE

3H-Pyrazol-3-one,2,4-dihydro- Specification

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