3-METHOXYCARBONYLPHENYL ISOTHIOCYANATE


Catalog No:   FT-0615999

CAS No:   3125-66-4

  • Molecular Formula:  193.22
  • Formula Weight: C9H7NO2S
  • Inchl Key: NQXFZEJJHPUMMF-UHFFFAOYSA-N
  • Inchl: InChI=1S/C9H7NO2S/c1-12-9(11)7-3-2-4-8(5-7)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
Melting_Point: N/A
CAS: 3125-66-4
MF: C9H7NO2S
Flash_Point: 105-106°C/0.45m
Product_Name: methyl 3-isothiocyanatobenzoate
Density: 1.23
FW: 193.22200
Bolling_Point: 105 °C
Refractive_Index: 1.6240
Flash_Point: 105-106°C/0.45m
LogP: 2.20750
Bolling_Point: 105 °C
FW: 193.22200
PSA: 70.75000
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']
MF: C9H7NO2S
Exact_Mass: 193.02000
Molecular_Structure: ['1 . Molar refractive index 5390 ', '2 . Molar volume (m3/mol)1652 ', '3 . Parachor (902K)4129 ', '4 . Surface tension 390 ', '5 . Polarizability 2137']
Density: 1.23
More_Info: ['1 . Appearance 无可用 ', '2 . Density(g/mL,25/4℃)123 ', '3 . Relative vapor density(g/mL,Atmosphere =1)无可用 ', '4 . Melting point(ºC)无可用 ', '5 . Boiling point(ºC,Atmospheric pressure)105 ', '6 . Boiling point(ºC,52kPa)无可用 ', '7 . Refractive index1624 ', '8 . Flash point(ºC)105 ', '9 . Specific rotation(º)无可用 ', '10 . Spontaneous ignition point or ignition temperature(ºC)无可用 ', '11 . Vapor pressure(kPa,25ºC)无可用 ', '12 . Saturated vapor pressure(kPa,60ºC)无可用 ', '13 . Combustion heat(KJ/mol)无可用 ', '14 . Critical temperature(ºC)无可用 ', '15 . Critical pressure(KPa)无可用 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion(%,V/V)无可用 ', '18 . Lower limit of explosion(%,V/V)无可用 ', '19 . Solubility 无可用']
Hazard_Class: 6.1
Risk_Statements(EU): R20/21/22;R36/37/38
RIDADR: 2810
Hazard_Codes: T: Toxic;
Safety_Statements: S26-S36/37/39
Packing_Group: II

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