3-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one
Catalog No: FT-0759122
CAS No: 120166-69-0
- Molecular Formula: 489.6
- Formula Weight: C28H25F2N3OS
- Inchl Key: ZCNBZFRECRPCKU-UHFFFAOYSA-N
- Inchl: InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)
| 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: | 120166-69-0 |
| Flash_Point: | 339.1ºC |
| Product_Name: | 3-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one |
| Bolling_Point: | 637.1ºC at 760mmHg |
| FW: | 489.57900 |
| Melting_Point: | N/A |
| MF: | C28H25F2N3OS |
| Density: | 1.36g/cm3 |
| FW: | 489.57900 |
|---|---|
| Refractive_Index: | 1.688 |
| Vapor_Pressure: | 3.94E-16mmHg at 25°C |
| Flash_Point: | 339.1ºC |
| LogP: | 5.87310 |
| Bolling_Point: | 637.1ºC at 760mmHg |
| More_Info: | ['1 . Appearance Yellow Solid ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '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 微Soluble in 酸'] |
| Computational_Chemistry: | ['1. XlogP :56 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :5 ', '6. TPSA 677 ', '7. Heavy Atom Count :35 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :770 ', '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: | C28H25F2N3OS |
| Exact_Mass: | 489.16900 |
| Molecular_Structure: | ['1 . Molar refractive index 13671 ', '2 . Molar volume （m3/mol）3583 ', '3 . Parachor （902K）10186 ', '4 . Surface tension 653 ', '5 . Polarizability （10 -24cm 3）5419'] |
| Density: | 1.36g/cm3 |
| PSA: | 73.12000 |
| Symbol: | GHS07 |
|---|---|
| Risk_Statements(EU): | R36/37/38 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
| RIDADR: | NONH for all modes of transport |
| Hazard_Codes: | Xi |
| Warning_Statement: | P261-P305 + P351 + P338 |
| Safety_Statements: | H315-H319-H335 |
