3-Nitro-4-methylbenzonitrile
Catalog No: FT-0601289
CAS No: 939-79-7
- Molecular Formula: 162.15
- Formula Weight: C8H6N2O2
- Inchl Key: KOFBNBCOGKLUOM-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H6N2O2/c1-6-2-3-7(5-9)4-8(6)10(11)12/h2-4H,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 |
| Symbol: | Warning |
|---|---|
| FW: | 162.145 |
| Density: | 1.3±0.1 g/cm3 |
| CAS: | 939-79-7 |
| Bolling_Point: | 282.0±28.0 °C at 760 mmHg |
| Product_Name: | 3-Nitro-4-methylbenzonitrile |
| Melting_Point: | 102-106 °C(lit.) |
| Flash_Point: | 124.3±24.0 °C |
| MF: | C8H6N2O2 |
| Flash_Point: | 124.3±24.0 °C |
|---|---|
| Refractive_Index: | 1.568 |
| FW: | 162.145 |
| Density: | 1.3±0.1 g/cm3 |
| Bolling_Point: | 282.0±28.0 °C at 760 mmHg |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 696 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :225 ', '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'] |
| LogP: | 1.63 |
| Melting_Point: | 102-106 °C(lit.) |
| PSA: | 69.61000 |
| MF: | C8H6N2O2 |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL,15℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）102-106 ', '5 . Boiling point（ºC,Atmospheric pressure）171 ', '6 . Refractive indexUnknow ', '7 . Flash point（ºC）171 ', '8 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '9 . Specific rotation（º） Unknow ', '10 . Vapor pressure（kPa,25ºC）Unknow ', '11 . Saturated vapor pressure（kPa,60ºC）Unknow ', '12 . Combustion heat（KJ/mol）Unknow ', '13 . Critical temperature（ºC）Unknow ', '14 . Critical pressure（KPa）Unknow ', '15 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '16 . Upper limit of explosion（%,V/V）Unknow ', '17 . Lower limit of explosion（%,V/V）Unknow ', '18 . Solubility Unknow'] |
| Vapor_Pressure: | 0.0±0.6 mmHg at 25°C |
| Exact_Mass: | 162.042923 |
| Hazard_Codes: | Xi: Irritant; |
|---|---|
| Symbol: | Warning |
| Packing_Group: | III |
| Hazard_Class: | 6.1 |
| Warning_Statement: | P261-P305 + P351 + P338 |
| HS_Code: | 2926909090 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
| Risk_Statements(EU): | R36/37/38 |
| Safety_Statements: | S26-S36 |
| RIDADR: | 3439 |
| WGK_Germany: | 3 |
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