2,4,6-TRIMETHYLPHENYL ISOCYANATE
Catalog No: FT-0609906
CAS No: 2958-62-5
- Molecular Formula: 161.2
- Formula Weight: C10H11NO
- Inchl Key: HJHZRZFONUPQAA-UHFFFAOYSA-N
- Inchl: InChI=1S/C10H11NO/c1-7-4-8(2)10(11-6-12)9(3)5-7/h4-5H,1-3H3
| 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: | 2-isocyanato-1,3,5-trimethylbenzene |
|---|---|
| Flash_Point: | 87.8ºC |
| Melting_Point: | 44-48ºC(lit.) |
| FW: | 161.20000 |
| Density: | 0.98g/cm3 |
| CAS: | 2958-62-5 |
| Bolling_Point: | 218-220ºC |
| MF: | C10H11NO |
| Molecular_Structure: | ['1 . Molar refractive index 4943 ', '2 . Molar volume （m3/mol）1643 ', '3 . Parachor （902K）3885 ', '4 . Surface tension 312 ', '5 . Polarizability 1959'] |
|---|---|
| Flash_Point: | 87.8ºC |
| Refractive_Index: | 1.513 |
| FW: | 161.20000 |
| Density: | 0.98g/cm3 |
| Bolling_Point: | 218-220ºC |
| Computational_Chemistry: | ['1. XlogP :38 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 294 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :184 ', '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: | 2.57910 |
| Melting_Point: | 44-48ºC(lit.) |
| PSA: | 29.43000 |
| MF: | C10H11NO |
| More_Info: | ['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）44-48 ', '5 . Boiling point（ºC,Atmospheric pressure）218-220 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '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'] |
| Vapor_Pressure: | 0.0288mmHg at 25°C |
| Exact_Mass: | 161.08400 |
| Hazard_Codes: | Xn: Harmful; |
|---|---|
| Risk_Statements(EU): | R23/25;R36/37/38;R42 |
| Packing_Group: | II |
| Hazard_Class: | 6.1 |
| RIDADR: | UN 2811 |
| HS_Code: | 2929109000 |
| Safety_Statements: | S23-S26-S36/37/39-S45 |
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