FT-0612812 CAS:175204-03-2 chemical structure

2-METHOXY-6-(2,2,2-TRIFLUOROETHOXY)BENZONITRILE

Name: 2-METHOXY-6-(2,2,2-TRIFLUOROETHOXY)BENZONITRILE
Rating: 4.5 (11 reviews)

Catalog No: FT-0612812

CAS No: 175204-03-2

Molecular Formula: 231.17
Formula Weight: C10H8F3NO2
Inchl Key: FGPIHUUPWYOKIW-UHFFFAOYSA-N
Inchl: InChI=1S/C10H8F3NO2/c1-15-8-3-2-4-9(7(8)5-14)16-6-10(11,12)13/h2-4H,6H2,1H3

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

Product_Name:	2-methoxy-6-(2,2,2-trifluoroethoxy)benzonitrile
Flash_Point:	N/A
Melting_Point:	89ºC
FW:	231.17100
Density:	N/A
CAS:	175204-03-2
Bolling_Point:	N/A
MF:	C10H8F3NO2

Computational_Chemistry:	['1. XlogP :27 ', '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 422 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :271 ', '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:	2.50798
Melting_Point:	89ºC
FW:	231.17100
PSA:	42.25000
MF:	C10H8F3NO2
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL, 20 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）89 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC 05 mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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']
Exact_Mass:	231.05100