FT-0613978 CAS:460-40-2 chemical structure

3,3,3-Trifluoropropanal

Catalog No: FT-0613978

CAS No: 460-40-2

Molecular Formula: 112.051
Formula Weight: C3H3F3O
Inchl Key: UTMIEQASUFFADK-UHFFFAOYSA-N
Inchl: InChI=1S/C3H3F3O/c4-3(5,6)1-2-7/h2H,1H2

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:	N/A
CAS:	460-40-2
MF:	C3H3F3O
Flash_Point:	-27.4±18.8 °C
Product_Name:	3,3,3-Trifluoropropanal
Density:	1.2±0.1 g/cm3
FW:	112.050
Bolling_Point:	22.4±40.0 °C at 760 mmHg

Refractive_Index:	1.289
Vapor_Pressure:	838.5±0.0 mmHg at 25°C
Flash_Point:	-27.4±18.8 °C
LogP:	1.15
Bolling_Point:	22.4±40.0 °C at 760 mmHg
FW:	112.050
PSA:	17.07000
Computational_Chemistry:	['1. XlogP :08 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 171 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :651 ', '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']
MF:	C3H3F3O
Exact_Mass:	112.013596
Molecular_Structure:	['1 . Molar refractive index 1659 ', '2 . Molar volume （m3/mol）917 ', '3 . Parachor （902K）1840 ', '4 . Surface tension 161 ', '5 . Polarizability （10 -24cm 3）657']
Density:	1.2±0.1 g/cm3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/ m3,25/4℃）1301 ', '3 . Relative vapor density（g/cm3,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）56 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index1309 ', '8 . Flash point（ºF）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']