3-Chloro-4-(trifluoromethoxy)benzoic acid

Catalog No: FT-0689413

CAS No: 158580-93-9

Chemical Name: 3-Chloro-4-(trifluoromethoxy)benzoic acid
Molecular Formula: C8H4ClF3O3
Molecular Weight: 240.56
InChI Key: QGVQWEOEEXGRSD-UHFFFAOYSA-N
InChI: InChI=1S/C8H4ClF3O3/c9-5-3-4(7(13)14)1-2-6(5)15-8(10,11)12/h1-3H,(H,13,14)

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:	3-Chloro-4-(trifluoromethoxy)benzoic acid
Flash_Point:	110.4±25.9 °C
Melting_Point:	N/A
FW:	240.564
Density:	1.6±0.1 g/cm3
CAS:	158580-93-9
Bolling_Point:	258.9±35.0 °C at 760 mmHg
MF:	C8H4ClF3O3

Density:	1.6±0.1 g/cm3
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 465 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :244 ', '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']
LogP:	3.95
Flash_Point:	110.4±25.9 °C
Refractive_Index:	1.498
FW:	240.564
PSA:	46.53000
MF:	C8H4ClF3O3
Bolling_Point:	258.9±35.0 °C at 760 mmHg
Vapor_Pressure:	0.0±0.6 mmHg at 25°C
Exact_Mass:	239.980103