3-Methyl-3-pyrazolin-5-one supplier

Name
3-Methyl-3-pyrazolin-5-one
EINECS
CAS No. 4344-87-0
Article Data6
CAS DataBase
Density 1.108 g/cm³
Solubility
Melting Point 223-225 °C(lit.)
Formula C₄H₆N₂O
Boiling Point 309.7 °C at 760 mmHg
Molecular Weight 98.1044
Flash Point 141.1 °C
Transport Information
Appearance Light yellow crystalline powder
Safety 26-37/39-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Pyrazolin-5-one,3-methyl- (7CI,8CI);3-Pyrazolol, 5-methyl- (6CI);3-Hydroxy-5-methyl-1H-pyrazole;3-Hydroxy-5-methylpyrazole;3-Methyl-1H-pyrazol-5-ol;3H-Pyrazol-3-one,1,2-dihydro-5-methyl-;3-Methyl-5-hydroxypyrazole;5-Methyl-1H-pyrazol-3-ol;5-Methyl-1,2-dihydro-3H-pyrazol-3-one;5-Methylpyrazol-3-ol;5-Methylpyrazol-3-one;NSC265335;
PSA 48.65000
LogP 0.01140

3-Methyl-3-pyrazolin-5-one Specification

The 3-Methyl-3-pyrazolin-5-one, with the CAS registry number 4344-87-0, is also known as 5-Methyl-1H-pyrazol-3-ol. It belongs to the product categories of Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Pyrazoles. This chemical's molecular formula is C₄H₆N₂O and molecular weight is 98.10. What's more, its systematic name is 5-methyl-1,2-dihydro-3H-pyrazol-3-one. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from light.

Physical properties of 3-Methyl-3-pyrazolin-5-one are: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.02; (4)ACD/LogD (pH 7.4): -0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.81; (8)ACD/KOC (pH 7.4): 20.39; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 24.96 cm³; (15)Molar Volume: 88.5 cm³; (16)Surface Tension: 29.3 dyne/cm; (17)Density: 1.107 g/cm³; (18)Flash Point: 141.1 °C Enthalpy of Vaporization: 57.24 kJ/mol; (19)Boiling Point: 309.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000345 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C(/NN1)C
(2)InChI: InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)
(3)InChIKey: WGVHNCAJPFIFCR-UHFFFAOYSA-N

Product Name

3-Methyl-3-pyrazolin-5-one

3-Methyl-3-pyrazolin-5-one Specification

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