3H-Pyrazol-3-one,2,4-dihydro-2-methyl-5-(trifluoromethyl)- supplier

Name
1-METHYL-3-TRIFLUOROMETHYL-2-PYRAZOLIN-5-ONE
EINECS -0
CAS No. 1481-02-3
Article Data1
CAS DataBase
Density 1.5 g/cm³
Solubility
Melting Point 178 °C
Formula C₅H₅F₃N₂O
Boiling Point 101.6 °C at 760 mmHg
Molecular Weight 166.103
Flash Point 15.3 °C
Transport Information
Appearance white solid
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols Xi
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;
PSA 32.67000
LogP 0.14030

3H-Pyrazol-3-one,2,4-dihydro-2-methyl-5-(trifluoromethyl)- 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

Product Name

1-METHYL-3-TRIFLUOROMETHYL-2-PYRAZOLIN-5-ONE

3H-Pyrazol-3-one,2,4-dihydro-2-methyl-5-(trifluoromethyl)- Specification

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