FT-0615991 CAS:454-90-0 chemical structure

3-(Trifluoromethyl)anisole

Name: 3-(Trifluoromethyl)anisole
Rating: 4.5 (11 reviews)

Catalog No: FT-0615991

CAS No: 454-90-0

Molecular Formula: 176.14
Formula Weight: C8H7F3O
Inchl Key: XHONYVFDZSPELQ-UHFFFAOYSA-N
Inchl: InChI=1S/C8H7F3O/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H3

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:	-65ºC
CAS:	454-90-0
MF:	C8H7F3O
Flash_Point:	48.9±0.0 °C
Product_Name:	3-(Trifluoromethyl)anisole
Density:	1.2±0.1 g/cm3
FW:	176.136
Bolling_Point:	160.8±40.0 °C at 760 mmHg

Refractive_Index:	1.429
Vapor_Pressure:	3.0±0.3 mmHg at 25°C
Flash_Point:	48.9±0.0 °C
LogP:	3.19
Bolling_Point:	160.8±40.0 °C at 760 mmHg
PSA:	9.23000
Molecular_Structure:	['1 . Molar refractive index 3791 ', '2 . Molar volume （m3/mol）1469 ', '3 . Parachor （902K）3211 ', '4 . Surface tension 228 ', '5 . Polarizability （10 -24cm 3）1502']
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 92 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :144 ', '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:	-65ºC
MF:	C8H7F3O
Exact_Mass:	176.044907
FW:	176.136
Density:	1.2±0.1 g/cm3
More_Info:	['1 . Appearance 透明Liquid ', '2 . Density（g/ m3,25/4℃）1217 ', '3 . Relative vapor density（g/cm3,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）160 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index1443 ', '8 . Flash point（ºF）120 ', '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 难Soluble in Water ']