Name: 4-Bromo-3-methyl-5-(trifluoromethyl)-1h-pyrazole
SKU: 60061-68-9

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Basic Information

Molecular Structure:
CAS No.:	60061-68-9
Name:	4-Bromo-3-methyl-5-(trifluoromethyl)-1h-pyrazole
Article Data:	2

Formula:	C₅H₄BrF₃N₂
Molecular Weight:	228.9979
Synonyms:	1H-Pyrazole, 4-bromo-5-methyl-3-(trifluoromethyl)-;
Density:	1.803 g/cm³
Melting Point:	105.0 to 109.0 °C
Boiling Point:	242 °C at 760 mmHg
Flash Point:	100.2 °C
PSA:	28.68000
LogP:	2.49940

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Specification

The 4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole, with the CAS registry number 60061-68-9, is also known as 1H-Pyrazole, 4-bromo-5-methyl-3-(trifluoromethyl)-. This chemical's molecular formula is C₅H₄BrF₃N₂ and molecular weight is 228.9979. Its systematic name is called 4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole. What's more, the product should be sealed and stored in cool and dry place. Meanwhile, it should be protected from strong oxides.

Physical properties of 4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole: (1)ACD/LogP: 2.01; (2)ACD/LogD (pH 5.5): 2.01; (3)ACD/LogD (pH 7.4): 2.01; (4)ACD/BCF (pH 5.5): 19.77; (5)ACD/BCF (pH 7.4): 19.7; (6)ACD/KOC (pH 5.5): 294.68; (7)ACD/KOC (pH 7.4): 293.61; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Index of Refraction: 1.483; (11)Molar Refractivity: 36.27 cm³; (12)Molar Volume: 126.9 cm³; (13)Surface Tension: 33.9 dyne/cm; (14)Density: 1.803 g/cm³; (15)Flash Point: 100.2 °C; (16)Enthalpy of Vaporization: 45.96 kJ/mol; (17)Boiling Point: 242 °C at 760 mmHg; (18)Vapour Pressure: 0.054 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1nnc(c1Br)C
(2)InChI: InChI=1/C5H4BrF3N2/c1-2-3(6)4(11-10-2)5(7,8)9/h1H3,(H,10,11)
(3)InChIKey: PDSOUBXNWWZCNB-UHFFFAOYAJ