1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol supplier

Name
1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol
EINECS 626-417-3
CAS No. 122431-37-2
Article Data24
CAS DataBase
Density 1.423g/cm³
Solubility
Melting Point 177-179 ºC
Formula C₅H₅F₃N₂O
Boiling Point 106.4°Cat760mmHg
Molecular Weight 166.103
Flash Point 18.1°C
Transport Information
Appearance light yellow crystalline powder or needles
Safety Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 24/25
Hazard Note Irritant
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 1-Methyl-3-trifluoromethyl-1H-pyrazol-5-ol;1-Methyl-3-trifluoromethyl-5-hydroxypyrazole;1-Methyl-5-hydroxy-3-trifluoromethylpyrazole;2-Methyl-5-trifluoromethyl-2H-pyrazol-3-ol;3-Trifluoromethyl-1-methyl-5-hydroxypyrazole;5-Hydroxy-1-methyl-3-trifluoromethyl-1H-pyrazole;5-Hydroxy-1-methyl-3-trifluoromethylpyrazole;
PSA 38.05000
LogP 1.14450

1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol Specification

The 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol with cas registry number of 122431-37-2, belongs to the following product categories: (1)Building Blocks; (2)Pyrazole. It has the systematic name of 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol. And it is also named 1H-pyrazol-5-ol, 1-methyl-3-(trifluoromethyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 73; (8)ACD/KOC (pH 7.4): 54; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.05 Å²; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 30.856 cm³; (15)Molar Volume: 110.423 cm3; (16)Polarizability: 12.232×10^-24cm³; (17)Surface Tension: 30.755 dyne/cm; (18)Enthalpy of Vaporization: 47.963 kJ/mol; (19)Vapour Pressure: 0.061 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol irritating to eyes, respiratory system and skin. When use it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(O)n(C)n1;
(2)InChI: InChI=1/C5H5F3N2O/c1-10-4(11)2-3(9-10)5(6,7)8/h2,11H,1H3;
(3)InChIKey: UGVAQFVQIHNCJV-UHFFFAOYAA;
(4)Std. InChI: InChI=1S/C5H5F3N2O/c1-10-4(11)2-3(9-10)5(6,7)8/h2,11H,1H3;
(5)Std. InChIKey: UGVAQFVQIHNCJV-UHFFFAOYSA-N

Product Name

1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol

1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol Specification

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Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	24/25
Hazard Note	Irritant