METHYL 2-ISOTHIOCYANATOBENZOATE


Catalog No:   FT-0612727

CAS No:   16024-82-1

  • Molecular Formula:  193.22
  • Formula Weight: C9H7NO2S
  • Inchl Key: UNXVHBOJSCWVCD-UHFFFAOYSA-N
  • Inchl: InChI=1S/C9H7NO2S/c1-12-9(11)7-4-2-3-5-8(7)10-6-13/h2-5H,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
FW: 193.22200
Bolling_Point: 150 °C
MF: C9H7NO2S
Flash_Point: 126 °C
Product_Name: methyl 2-isothiocyanatobenzoate
Density: 1.25
CAS: 16024-82-1
Melting_Point: 25°C
Flash_Point: 126 °C
More_Info: ['1. Appearance Unknow ', '2. Density(g/mL,25/4℃)125 ', '3. Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4. Melting point(ºC)25 ', '5. Boiling point(ºC,Atmospheric pressure)150 ', '6. Boiling point(ºC,52kPa)Unknow ', '7. Refractive index15354-15374 ', '8. Flash point(ºC)126 ', '9. Specific rotation(º)Unknow ', '10. Spontaneous ignition point or ignition temperature(ºC)Unknow ', '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 Unknow']
PSA: 70.75000
Vapor_Pressure: 0.000321mmHg at 25°C
Density: 1.25
Refractive_Index: 1.5354-1.5374
FW: 193.22200
LogP: 2.20750
Bolling_Point: 150 °C
Exact_Mass: 193.02000
MF: C9H7NO2S
Computational_Chemistry: ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 708 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :236 ', '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: 25°C
Molecular_Structure: ['分子性质数据 ', '1 . Molar refractive index 5390 ', '2 . Molar volume (m3/mol)1652 ', '3 . Parachor (902K)4129 ', '4 . Surface tension 390 ', '5 . Polarizability (10 -24cm 3)2137']
RIDADR: 2810
Risk_Statements(EU): R36/38
Safety_Statements: S37/39-S26
Packing_Group: III
Hazard_Codes: Xn,Xi
Hazard_Class: 6.1

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