FT-0609629 CAS:141492-50-4 chemical structure
FT-0609629 CAS:141492-50-4 chemical structure

2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOTHIOCYANATE

Catalog No:   FT-0609629

CAS No:   141492-50-4

  • Molecular Formula:  193.22
  • Formula Weight: C9H7NO2S
  • Inchl Key: KALNNFRLHRAJNK-UHFFFAOYSA-N
  • Inchl: InChI=1S/C9H7NO2S/c13-6-10-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4H2
Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Product_Name: 6-isothiocyanato-2,3-dihydro-1,4-benzodioxine
Flash_Point: 152.9ºC
Melting_Point: 62-64ºC
FW: 193.22200
Density: 1.31g/cm3
CAS: 141492-50-4
Bolling_Point: 329.2ºC at 760mmHg
MF: C9H7NO2S
Molecular_Structure: ['1 . Molar refractive index 5208 ', '2 . Molar volume 1467 ', '3 . Parachor （902K）3791 ', '4 . Surface tension 445 ', '5 . Polarizability 2064']
LogP: 2.19210
Flash_Point: 152.9ºC
Refractive_Index: 1.627
FW: 193.22200
Density: 1.31g/cm3
Bolling_Point: 329.2ºC at 760mmHg
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 629 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :228 ', '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: 62-64ºC
PSA: 62.91000
MF: C9H7NO2S
Vapor_Pressure: 0.000345mmHg at 25°C
Exact_Mass: 193.02000
Hazard_Codes: Xi
RIDADR: UN 2923
Risk_Statements(EU): R20/21/22
HS_Code: 2932999099
Safety_Statements: 26-36/37/39-45

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