4-NITROBENZOYL ISOTHIOCYANATE

Catalog No: FT-0638760

CAS No: 28115-92-6

Chemical Name: 4-NITROBENZOYL ISOTHIOCYANATE
Molecular Formula: C8H4N2O3S
Molecular Weight: 208.2
InChI Key: UNYZFXQNOYBLFS-UHFFFAOYSA-N
InChI: InChI=1S/C8H4N2O3S/c11-8(9-5-14)6-1-3-7(4-2-6)10(12)13/h1-4H

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

Melting_Point:	90 °C
CAS:	28115-92-6
MF:	C8H4N2O3S
Flash_Point:	175.3ºC
Product_Name:	4-Nitrobenzoyl isothiocyanate
Density:	1.39g/cm3
FW:	208.19400
Bolling_Point:	187 °C

Refractive_Index:	1.641
Vapor_Pressure:	1.48E-05mmHg at 25°C
Flash_Point:	175.3ºC
LogP:	2.36100
Bolling_Point:	187 °C
FW:	208.19400
PSA:	107.34000
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 107 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :286 ', '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:	90 °C
MF:	C8H4N2O3S
Exact_Mass:	207.99400
Density:	1.39g/cm3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）90 ', '5 . Boiling point（ºC,Atmospheric pressure）187 ', '6 . Boiling point（ºC, KPa）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（Pa,25ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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']