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ETHYL 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE

Catalog No: FT-0642728

CAS No: 111493-74-4

Chemical Name: ETHYL 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE
Molecular Formula: C8H9F3N2O2
Molecular Weight: 222.16
InChI Key: ZZEXDJGNURSJOF-UHFFFAOYSA-N
InChI: InChI=1S/C8H9F3N2O2/c1-3-15-7(14)5-4-13(2)12-6(5)8(9,10)11/h4H,3H2,1-2H3

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

Melting_Point:	60-61ºC
CAS:	111493-74-4
MF:	C8H9F3N2O2
Flash_Point:	115.5ºC
Product_Name:	Ethyl 1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylate
Density:	1.35g/cm3
FW:	222.16400
Bolling_Point:	267.4ºC at 760mmHg

Refractive_Index:	1.469
Vapor_Pressure:	0.00816mmHg at 25°C
Flash_Point:	115.5ºC
LogP:	1.61560
Bolling_Point:	267.4ºC at 760mmHg
FW:	222.16400
PSA:	44.12000
Computational_Chemistry:	['1. XlogP :14 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 441 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :245 ', '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:	60-61ºC
MF:	C8H9F3N2O2
Exact_Mass:	222.06200
Molecular_Structure:	['1 . Molar refractive index 4588 ', '2 . Molar volume 1645 ', '3 . Parachor （902K）3875 ', '4 . Surface tension 307 ', '5 . Polarizability 1819']
Density:	1.35g/cm3
More_Info:	['1. Melting point（ºC）60～61']