4-CARBOXYPHENYL ISOTHIOCYANATE


Catalog No:   FT-0634054

CAS No:   2131-62-6

  • Chemical Name:  4-CARBOXYPHENYL ISOTHIOCYANATE
  • Molecular Formula:  C8H5NO2S
  • Molecular Weight:  179.2
  • InChI Key:  RBEFRYQKJYMLCC-UHFFFAOYSA-N
  • InChI:  InChI=1S/C8H5NO2S/c10-8(11)6-1-3-7(4-2-6)9-5-12/h1-4H,(H,10,11)

Product pricing and availability information
Assay Pack Size Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Melting_Point: 220 °C
CAS: 2131-62-6
MF: C8H5NO2S
Flash_Point: 172.5ºC
Product_Name: 4-isothiocyanatobenzoic acid
Density: 1.27g/cm3
FW: 179.19600
Bolling_Point: 361.6ºC at 760mmHg
Vapor_Pressure: 7.34E-06mmHg at 25°C
Flash_Point: 172.5ºC
LogP: 2.11910
Bolling_Point: 361.6ºC at 760mmHg
PSA: 81.75000
Molecular_Structure: ['1 . Molar refractive index 4894 ', '2 . Molar volume (m3/mol)1407 ', '3 . Parachor (902K)3683 ', '4 . Surface tension 469 ', '5 . Polarizability (10 -24cm 3)1940']
Computational_Chemistry: ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 818 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :215 ', '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: 220 °C
MF: C8H5NO2S
Exact_Mass: 179.00400
FW: 179.19600
Density: 1.27g/cm3
More_Info: ['1 . Appearance Solid ', '2 . Density(g/mL,20 ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)220 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC, 11mmHg)Unknow ', '7 . Refractive index(nD20)Unknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,100ºC)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']
RIDADR: 2811
Hazard_Codes: Xn: Harmful;T: Toxic;
HS_Code: 2930909090
Risk_Statements(EU): R36/37/38
Safety_Statements: S36/37/39-S26

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