3,4-difluoro-5-(trifluoromethyl)benzoic acid

Catalog No: FT-0734923

CAS No: 237761-76-1

Chemical Name: 3,4-difluoro-5-(trifluoromethyl)benzoic acid
Molecular Formula: C8H3F5O2
Molecular Weight: 226.1
InChI Key: CKUNRJPLPRCMCL-UHFFFAOYSA-N
InChI: InChI=1S/C8H3F5O2/c9-5-2-3(7(14)15)1-4(6(5)10)8(11,12)13/h1-2H,(H,14,15)

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

Bolling_Point:	251.8±40.0 °C at 760 mmHg
CAS:	237761-76-1
MF:	C8H3F5O2
Density:	1.6±0.1 g/cm3
Melting_Point:	N/A
Product_Name:	3,4-Difluoro-5-(trifluoromethyl)benzoic acid
Flash_Point:	106.1±27.3 °C
FW:	226.100

Bolling_Point:	251.8±40.0 °C at 760 mmHg
Density:	1.6±0.1 g/cm3
MF:	C8H3F5O2
LogP:	3.17
Computational_Chemistry:	['1. XlogP :25 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :252 ', '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']
Exact_Mass:	226.005325
Vapor_Pressure:	0.0±0.5 mmHg at 25°C
Flash_Point:	106.1±27.3 °C
FW:	226.100
Refractive_Index:	1.443
PSA:	37.30000