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
| 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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