3-(4-Pyridinyl)benzoic acid
Catalog No: FT-0687406
CAS No: 4385-78-8
- Molecular Formula: 198.2
- Formula Weight: C12H8NO2-
- Inchl Key: IYGIZNZSONLPSI-UHFFFAOYSA-M
- Inchl: InChI=1S/C12H9NO2/c14-12(15)11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-8H,(H,14,15)/p-1
| 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: | 268ºC |
|---|---|
| CAS: | 4385-78-8 |
| MF: | C12H9NO2 |
| Flash_Point: | 198.7±24.0 °C |
| Product_Name: | 3-(Pyridin-4-yl)benzoic acid |
| Density: | 1.2±0.1 g/cm3 |
| FW: | 199.205 |
| Bolling_Point: | 405.0±28.0 °C at 760 mmHg |
| Refractive_Index: | 1.613 |
|---|---|
| Vapor_Pressure: | 0.0±1.0 mmHg at 25°C |
| Flash_Point: | 198.7±24.0 °C |
| LogP: | 2.45 |
| Bolling_Point: | 405.0±28.0 °C at 760 mmHg |
| PSA: | 50.19000 |
| Molecular_Structure: | ['1 . Molar refractive index 5586 ', '2 . Molar volume （m3/mol）1604 ', '3 . Parachor （902K）4369 ', '4 . Surface tension 549 ', '5 . Polarizability （10 -24cm 3）2214'] |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 502 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :224 ', '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'] |
| Melting_Point: | 268ºC |
| MF: | C12H9NO2 |
| Exact_Mass: | 199.063324 |
| FW: | 199.205 |
| Density: | 1.2±0.1 g/cm3 |
| More_Info: | ['1 . Appearance 不确定 ', '2 . Density（g/mL）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC）不确定 ', '6 . Boiling point（ºC, 1mmHg）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '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'] |
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