FT-0616227 CAS:328-80-3 chemical structure

3-NITRO-5-(TRIFLUOROMETHYL)BENZOIC ACID

Name: 3-NITRO-5-(TRIFLUOROMETHYL)BENZOIC ACID
Rating: 4.5 (11 reviews)

Catalog No: FT-0616227

CAS No: 328-80-3

Molecular Formula: 234.11
Formula Weight: C8H3F3NO4-
Inchl Key: ODCLHXGXGFBBTA-UHFFFAOYSA-M
Inchl: InChI=1S/C8H4F3NO4/c9-8(10,11)5-1-4(7(13)14)2-6(3-5)12(15)16/h1-3H,(H,13,14)/p-1

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	128 °C
CAS:	328-80-3
MF:	C8H4F3NO4
Flash_Point:	141.2±27.9 °C
Product_Name:	3-Nitro-5-(trifluoromethyl)benzoic acid
Density:	1.6±0.1 g/cm3
FW:	235.117
Bolling_Point:	309.9±42.0 °C at 760 mmHg

Refractive_Index:	1.519
Vapor_Pressure:	0.0±0.7 mmHg at 25°C
Flash_Point:	141.2±27.9 °C
LogP:	2.98
Bolling_Point:	309.9±42.0 °C at 760 mmHg
FW:	235.117
PSA:	83.12000
Computational_Chemistry:	['1. XlogP :22 ', '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 831 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :299 ', '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:	128 °C
MF:	C8H4F3NO4
Exact_Mass:	235.009247
Molecular_Structure:	['1 . Molar refractive index 4470 ', '2 . Molar volume （m3/mol）1473 ', '3 . Parachor （902K）3820 ', '4 . Surface tension 452 ', '5 . Polarizability （10 -24cm 3）1772']
Density:	1.6±0.1 g/cm3
More_Info:	['一物性数据 ', '. Appearance 不可用 ', '. Density（g/mL,25/4℃）不可用 ', '. Relative vapor density（g/mL,Atmosphere =1）不可用 ', '. Melting point（ºC）128 ', '. Boiling point（ºC,Atmospheric pressure）不可用 ', '. Boiling point（ºC,52kPa）不可用 ', '. Refractive index不可用 ', '. Flash point（ºC）不可用 ', '. Specific rotation（º）不可用 ', '. Spontaneous ignition point or ignition temperature（ºC）不可用 ', '. Vapor pressure（kPa,25ºC）不可用 ', '. Saturated vapor pressure（kPa,60ºC）不可用 ', '. Combustion heat（KJ/mol）不可用 ', '. Critical temperature（ºC）不可用 ', '. Critical pressure（KPa）不可用 ', '. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不可用 ', '. Upper limit of explosion（%,V/V）不可用 ', '. Lower limit of explosion（%,V/V）不可用 ', '. Solubility 不可用']