1-isocyanato-2-[(4-isocyanatophenyl)methyl]benzene

Catalog No: FT-0697125

CAS No: 5873-54-1

Chemical Name: 1-isocyanato-2-[(4-isocyanatophenyl)methyl]benzene
Molecular Formula: C15H10N2O2
Molecular Weight: 250.25 g/mol
InChI Key: LFSYUSUFCBOHGU-UHFFFAOYSA-N
InChI: InChI=1S/C15H10N2O2/c18-10-16-14-7-5-12(6-8-14)9-13-3-1-2-4-15(13)17-11-19/h1-8H,9H2

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

Bolling_Point:	376.3±35.0 °C at 760 mmHg
MF:	C15H10N2O2
Density:	1.1±0.1 g/cm3
FW:	250.252
Product_Name:	o-(p-Isocyanatobenzyl)phenyl isocyanate
CAS:	5873-54-1
Flash_Point:	155.3±31.3 °C
Melting_Point:	36-40ºC(lit.)

Bolling_Point:	376.3±35.0 °C at 760 mmHg
Vapor_Pressure:	0.0±0.9 mmHg at 25°C
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mLat 25°C）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）36-40 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, 15mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）110 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,37ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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']
LogP:	4.93
Computational_Chemistry:	['1. XlogP :54 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 589 ', '7. Heavy Atom Count :19 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :376 ', '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:	36-40ºC(lit.)
Exact_Mass:	250.074234
MF:	C15H10N2O2
Density:	1.1±0.1 g/cm3
Refractive_Index:	1.588
PSA:	58.86000
Flash_Point:	155.3±31.3 °C
FW:	250.252