4-METHYL-3-NITROPHENYL ISOCYANATE


Catalog No:   FT-0613167

CAS No:   13471-69-7

  • Molecular Formula:  178.14
  • Formula Weight: C8H6N2O3
  • Inchl Key: OIORBBLUSMONPW-UHFFFAOYSA-N
  • Inchl: InChI=1S/C8H6N2O3/c1-6-2-3-7(9-5-11)4-8(6)10(12)13/h2-4H,1H3

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Melting_Point: 51-54 °C(lit.)
CAS: 13471-69-7
MF: C8H6N2O3
Flash_Point: >230 °F
Product_Name: 4-isocyanato-1-methyl-2-nitrobenzene
Density: 1.27g/cm3
FW: 178.14500
Bolling_Point: 113-118 °C3 mm Hg(lit.)
Refractive_Index: 1.578
Vapor_Pressure: 0.00311mmHg at 25°C
Flash_Point: >230 °F
LogP: 2.39370
Bolling_Point: 113-118 °C3 mm Hg(lit.)
PSA: 75.25000
Molecular_Structure: ['1 . Molar refractive index 4624 ', '2 . Molar volume (m3/mol)1393 ', '3 . Parachor (902K)3717 ', '4 . Surface tension 507 ', '5 . Polarizability (10 -24cm 3)1833']
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 752 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :242 ', '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: 51-54 °C(lit.)
MF: C8H6N2O3
Exact_Mass: 178.03800
FW: 178.14500
Density: 1.27g/cm3
More_Info: ['1 . Appearance Yellow 刺激性气味晶体 ', '2 . Density(g/mL,25/4℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)48-54 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)>110 ', '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 在Water 里可Water 解的']
Hazard_Class: 6.1
Risk_Statements(EU): R20/21/22
WGK_Germany: 3
RIDADR: 2811
Hazard_Codes: Xn,Xi:Irritant;
HS_Code: 2929109000
Safety_Statements: S7-S26-S27-S37/39
Packing_Group: III

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