CAS No.1481-02-3,1-METHYL-3-TRIFLUOROMETHYL-2-PYRAZOLIN-5-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1481-02-3
Name:	1-METHYL-3-TRIFLUOROMETHYL-2-PYRAZOLIN-5-ONE
Article Data:	1

Formula:	C₅H₅F₃N₂O
Molecular Weight:	166.103
Synonyms:	2-Pyrazolin-5-one,1-methyl-3-(trifluoromethyl)- (6CI,8CI);1-Methyl-3-trifluoromethyl-4,5-dihydropyrazole-5-one;2-Methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one;1-Methyl-3-(trifluoromethyl)-2-pyrazolin-5-one;
EINECS:	-0
Density:	1.5 g/cm³
Melting Point:	178 °C
Boiling Point:	101.6 °C at 760 mmHg
Flash Point:	15.3 °C
Appearance:	white solid
Hazard Symbols:	Xi
Risk Codes:	25
Safety:	45
PSA:	32.67000
LogP:	0.14030

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Specification

The 3H-Pyrazol-3-one,2,4-dihydro-2-methyl-5-(trifluoromethyl)-, with the CAS registry number 1481-02-3, is also known as 1-Methyl-3-trifluoromethyl-4,5-dihydropyrazole-5-one. It belongs to the product category of Pyrazole series. This chemical's molecular formula is C₅H₅F₃N₂O and molecular weight is 166.1. What's more, its systematic name is 2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one. It should be sealed and stored in a cool and dry place. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of 3H-Pyrazol-3-one,2,4-dihydro-2-methyl-5-(trifluoromethyl)- are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 11.56; (6)ACD/BCF (pH 7.4): 11.56; (7)ACD/KOC (pH 5.5): 200.67; (8)ACD/KOC (pH 7.4): 200.67; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å²; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 30.85 cm³; (15)Molar Volume: 110.4 cm³; (16)Polarizability: 12.23×10^-24cm³; (17)Surface Tension: 30.7 dyne/cm; (18)Density: 1.5 g/cm³; (19)Flash Point: 15.3 °C; (20)Enthalpy of Vaporization: 34.08 kJ/mol; (21)Boiling Point: 101.6 °C at 760 mmHg; (22)Vapour Pressure: 34.9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)/C1=N/N(C(=O)C1)C
(2)InChI: InChI=1S/C5H5F3N2O/c1-10-4(11)2-3(9-10)5(6,7)8/h2H2,1H3
(3)InChIKey: SYHYFYSGUQRNRS-UHFFFAOYSA-N