4-ISOPROPYLPHENYLACETONITRILE
Catalog No: FT-0618846
CAS No: 4395-87-3
- Molecular Formula: 159.23
- Formula Weight: C11H13N
- Inchl Key: RIPHZOPMCRSGSI-UHFFFAOYSA-N
- Inchl: InChI=1S/C11H13N/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,9H,7H2,1-2H3
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Melting_Point: | N/A |
|---|---|
| CAS: | 4395-87-3 |
| MF: | C11H13N |
| Flash_Point: | >230 °F |
| Product_Name: | 4-isopropylphenylacetonitrile |
| Density: | 0.960 g/mL at 25 °C(lit.) |
| FW: | 159.22800 |
| Bolling_Point: | 85-90 °C0.2 atm(lit.) |
| Refractive_Index: | n20/D 1.5125(lit.) |
|---|---|
| Flash_Point: | >230 °F |
| LogP: | 2.87608 |
| Bolling_Point: | 85-90 °C0.2 atm(lit.) |
| FW: | 159.22800 |
| PSA: | 23.79000 |
| Computational_Chemistry: | ['1. XlogP :27 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :167 ', '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: | 159.10500 |
| Molecular_Structure: | ['1 . Molar refractive index 4990 ', '2 . Molar volume （m3/mol）1657 ', '3 . Parachor （902K）4072 ', '4 . Surface tension 364 ', '5 . Polarizability （10 -24cm 3）1978'] |
| Density: | 0.960 g/mL at 25 °C(lit.) |
| More_Info: | ['1 . Appearance Liquid ', '2 . Density（g/mL ,25/4℃）0960 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC ,02atm）85-90 ', '6 . Boiling point（ºC,22mmHg）不确定 ', '7 . Refractive index15125 ', '8 . Flash point（ºF）>230 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 11 蒸汽压（ 20ºC ） 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'] |
| Hazard_Class: | 6.1 |
|---|---|
| Risk_Statements(EU): | R20/21/22 |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US) |
| RIDADR: | 3276 |
| Hazard_Codes: | Xi |
| HS_Code: | 2926909090 |
| Safety_Statements: | S23-S24/25 |
| Packing_Group: | III |
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