4-CYANOPHENYL 4-N-BUTYLBENZOATE
Catalog No: FT-0639490
CAS No: 38690-77-6
- Chemical Name: 4-CYANOPHENYL 4-N-BUTYLBENZOATE
- Molecular Formula: C18H17NO2
- Molecular Weight: 279.3
- InChI Key: XQRFASOUJIKXRE-UHFFFAOYSA-N
- InChI: InChI=1S/C18H17NO2/c1-2-3-4-14-5-9-16(10-6-14)18(20)21-17-11-7-15(13-19)8-12-17/h5-12H,2-4H2,1H3
| 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 |
| Product_Name: | 4-Cyanophenyl 4-butylbenzoate |
|---|---|
| Bolling_Point: | 441.9ºC at 760 mmHg |
| Density: | 1.14 g/cm3 |
| MF: | C18H17NO2 |
| CAS: | 38690-77-6 |
| Melting_Point: | 67-69 °C(lit.) |
| Flash_Point: | 218.8ºC |
| FW: | 279.33300 |
| MF: | C18H17NO2 |
|---|---|
| Bolling_Point: | 441.9ºC at 760 mmHg |
| Exact_Mass: | 279.12600 |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL,20 ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）67-69°C(lit) ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC,24mm hg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,25ºC）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（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 Unknow'] |
| Melting_Point: | 67-69 °C(lit.) |
| PSA: | 50.09000 |
| Flash_Point: | 218.8ºC |
| Refractive_Index: | 1.576 |
| Density: | 1.14 g/cm3 |
| Computational_Chemistry: | ['1. XlogP :49 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :3 ', '6. TPSA 501 ', '7. Heavy Atom Count :21 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :368 ', '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'] |
| FW: | 279.33300 |
| LogP: | 4.12008 |
| Risk_Statements(EU): | R20/21/22 |
|---|---|
| Hazard_Codes: | Xn: Harmful; |
| HS_Code: | 2926909090 |
| Hazard_Class: | 6.1 |
| Packing_Group: | III |
| WGK_Germany: | 3 |
| Safety_Statements: | S36 |
| RIDADR: | 3276 |
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