4-tert-Butylbenzonitrile
Catalog No: FT-0619498
CAS No: 4210-32-6
- Molecular Formula: 159.23
- Formula Weight: C11H13N
- Inchl Key: IIZURLNRIMKEDL-UHFFFAOYSA-N
- Inchl: InChI=1S/C11H13N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,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 |
| Symbol: | GHS07 |
|---|---|
| CAS: | 4210-32-6 |
| Flash_Point: | 102.3±14.0 °C |
| Product_Name: | 4-t-butylbenzonitrile |
| Bolling_Point: | 245.6±19.0 °C at 760 mmHg |
| FW: | 159.228 |
| Melting_Point: | N/A |
| MF: | C11H13N |
| Density: | 1.0±0.1 g/cm3 |
| Refractive_Index: | 1.512 |
|---|---|
| Vapor_Pressure: | 0.0±0.5 mmHg at 25°C |
| Flash_Point: | 102.3±14.0 °C |
| LogP: | 3.34 |
| Bolling_Point: | 245.6±19.0 °C at 760 mmHg |
| PSA: | 23.79000 |
| Molecular_Structure: | ['1 . Molar refractive index 4984 ', '2 . Molar volume （m3/mol）1660 ', '3 . Parachor （902K）4077 ', '4 . Surface tension 363 ', '5 . Polarizability （10 -24cm 3）1975'] |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :183 ', '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'] |
| MF: | C11H13N |
| Exact_Mass: | 159.104797 |
| FW: | 159.228 |
| Density: | 1.0±0.1 g/cm3 |
| More_Info: | ['1 . Appearance Colourless Liquid ', '2 . Density（g/mL,25/4℃）094 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC）258 ', '6 . Boiling point（ºC,52kPa）不确定 ', '7 . Refractive index1518 ', '8 . Flash point（°F）>230 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定'] |
| Symbol: | GHS07 |
|---|---|
| RIDADR: | 3276 |
| HS_Code: | 2926909090 |
| Packing_Group: | III |
| Hazard_Class: | 6.1 |
| Risk_Statements(EU): | R20/21/22 |
| WGK_Germany: | 2 |
| Personal_Protective_Equipment: | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard_Codes: | Xn:Harmful; |
| Warning_Statement: | P280-P305 + P351 + P338 |
| Safety_Statements: | H312-H319-H332 |
