2-(TERT-BUTYLSULFONYL)ACETONITRILE


Catalog No:   FT-0641830

CAS No:   81536-18-7

  • Chemical Name:  2-(TERT-BUTYLSULFONYL)ACETONITRILE
  • Molecular Formula:  C6H11NO2S
  • Molecular Weight:  161.22
  • InChI Key:  ZRCYCIRRPIYJOU-UHFFFAOYSA-N
  • InChI:  InChI=1S/C6H11NO2S/c1-6(2,3)10(8,9)5-4-7/h5H2,1-3H3

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: 141 °C
CAS: 81536-18-7
MF: C6H11NO2S
Flash_Point: 150.3ºC
Product_Name: 2-(tert-butylsulfonyl)acetonitrile
Density: 1.135g/cm3
FW: 161.22200
Bolling_Point: 324.9ºC at 760mmHg
Flash_Point: 150.3ºC
LogP: 1.80408
Bolling_Point: 324.9ºC at 760mmHg
FW: 161.22200
PSA: 66.31000
Computational_Chemistry: ['1. XlogP :04 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 663 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :244 ', '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: 141 °C
MF: C6H11NO2S
Exact_Mass: 161.05100
Density: 1.135g/cm3
More_Info: ['1 . Appearance White 晶体粉末 ', '2 . Density(g/mL25 ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)140-144 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC035mmHg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(℃)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,)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(正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 不能溶解于Water ']
Hazard_Class: 6.1
Risk_Statements(EU): R22:Harmful if swallowed.
RIDADR: 3439
Hazard_Codes: Xi
Safety_Statements: S26-S36/37/39
Packing_Group: III

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