1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

Catalog No: FT-0646863

CAS No: 113100-53-1

Chemical Name: 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
Molecular Formula: C6H5F3N2O2
Molecular Weight: 194.11
InChI Key: FZNKJQNEJGXCJH-UHFFFAOYSA-N
InChI: InChI=1S/C6H5F3N2O2/c1-11-2-3(5(12)13)4(10-11)6(7,8)9/h2H,1H3,(H,12,13)

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Flash_Point:	126.5±27.3 °C
Melting_Point:	203ºC
FW:	194.111
Density:	1.6±0.1 g/cm3
CAS:	113100-53-1
Bolling_Point:	285.6±40.0 °C at 760 mmHg
MF:	C6H5F3N2O2

Molecular_Structure:	['1 . Molar refractive index 3631 ', '2 . Molar volume 1239 ', '3 . Parachor （902K）3043 ', '4 . Surface tension 363 ', '5 . Polarizability 1439']
LogP:	1.63
Flash_Point:	126.5±27.3 °C
Refractive_Index:	1.498
FW:	194.111
Density:	1.6±0.1 g/cm3
Bolling_Point:	285.6±40.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :07 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 551 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :218 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point:	203ºC
PSA:	55.12000
MF:	C6H5F3N2O2
More_Info:	['1 . Melting point（ºC）:203']
Vapor_Pressure:	0.0±0.6 mmHg at 25°C
Exact_Mass:	194.030319