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FT-0657229

51903-64-1

3-(TRIFLUOROMETHYL)-4-METHYLPHENYL ISOC&

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3-(TRIFLUOROMETHYL)-4-METHYLPHENYL ISOC&

Catalog No: FT-0657229

CAS No: 51903-64-1

Chemical Name: 3-(TRIFLUOROMETHYL)-4-METHYLPHENYL ISOC&
Molecular Formula: C9H6F3NO
Molecular Weight: 201.14 g/mol
InChI Key: XWSZWQGFJRBXMO-UHFFFAOYSA-N
InChI: InChI=1S/C9H6F3NO/c1-6-2-3-7(13-5-14)4-8(6)9(10,11)12/h2-4H,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:	4-isocyanato-1-methyl-2-(trifluoromethyl)benzene
Flash_Point:	175 °F
Melting_Point:	N/A
FW:	201.14500
Density:	1.288 g/mL at 25ºC(lit.)
CAS:	51903-64-1
Bolling_Point:	190-191ºC(lit.)
MF:	C9H6F3NO

Molecular_Structure:	['1 . Molar refractive index 4533 ', '2 . Molar volume 1641 ', '3 . Parachor （902K）3803 ', '4 . Surface tension 288 ', '5 . Polarizability 1797 ', '6 . Dielectric constant 未确定']
LogP:	2.98110
Flash_Point:	175 °F
Refractive_Index:	n20/D 1.4800(lit.)
FW:	201.14500
Density:	1.288 g/mL at 25ºC(lit.)
Bolling_Point:	190-191ºC(lit.)
Computational_Chemistry:	['1. XlogP :4 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 294 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :245 ', '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:	29.43000
MF:	C9H6F3NO
More_Info:	['1 . Appearance Colourless Liquid ', '2 . Density（g/mL,25/4℃）1288 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）190-191 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index148 ', '8 . Flash point（ºC）794 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
Exact_Mass:	201.04000