Ethyl 2,3,4,5-tetrafluorobenzoate

Catalog No: FT-0642991

CAS No: 122894-73-9

Chemical Name: Ethyl 2,3,4,5-tetrafluorobenzoate
Molecular Formula: C9H6F4O2
Molecular Weight: 222.14
InChI Key: SBHMXBYMQZRRLC-UHFFFAOYSA-N
InChI: InChI=1S/C9H6F4O2/c1-2-15-9(14)4-3-5(10)7(12)8(13)6(4)11/h3H,2H2,1H3

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:	Ethyl 2,3,4,5-tetrafluorobenzoate
Flash_Point:	95.3±22.2 °C
Melting_Point:	N/A
FW:	222.136
Density:	1.4±0.1 g/cm3
CAS:	122894-73-9
Bolling_Point:	238.6±40.0 °C at 760 mmHg
MF:	C9H6F4O2

Molecular_Structure:	['1. Molar refractive index 4263 ', '2. Molar volume 1606 ', '3. Parachor （902K）3804 ', '4. Surface tension 314 ', '5. Dielectric constant N/A ', '6. Polarizability 169 ', '7. Single isotope mass 222030392 Da ', '8. Nominal mass 222 Da ', '9. Average mass 2221364 Da']
LogP:	2.94
Flash_Point:	95.3±22.2 °C
Refractive_Index:	1.443
FW:	222.136
Density:	1.4±0.1 g/cm3
Bolling_Point:	238.6±40.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :25 ', '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 263 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :236 ', '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']
PSA:	26.30000
MF:	C9H6F4O2
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,20℃）1382 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）238-239 ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexn20/D 14440 ', '8 . Flash point（ºC）95 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
Vapor_Pressure:	0.0±0.5 mmHg at 25°C
Exact_Mass:	222.030396