CAS No.4344-87-0,3-Methyl-3-pyrazolin-5-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4344-87-0
Name:	3-Methyl-3-pyrazolin-5-one
Article Data:	6

Formula:	C₄H₆N₂O
Molecular Weight:	98.1044
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;
Density:	1.108 g/cm³
Melting Point:	223-225 °C(lit.)
Boiling Point:	309.7 °C at 760 mmHg
Flash Point:	141.1 °C
Appearance:	Light yellow crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39-36
PSA:	48.65000
LogP:	0.01140

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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