Ketoconazole
Catalog No: FT-0627575
CAS No: 65277-42-1
- Molecular Formula: 531.4
- Formula Weight: C26H28Cl2N4O4
- Inchl Key: XMAYWYJOQHXEEK-ZEQKJWHPSA-N
- Inchl: InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
| 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: | GHS06, GHS08, GHS09 |
|---|---|
| CAS: | 65277-42-1 |
| Flash_Point: | 409.4±32.9 °C |
| Product_Name: | Ketoconazole |
| Bolling_Point: | 753.4±60.0 °C at 760 mmHg |
| FW: | 531.431 |
| Melting_Point: | 146°C |
| MF: | C26H28Cl2N4O4 |
| Density: | 1.4±0.1 g/cm3 |
| Refractive_Index: | 1.642 |
|---|---|
| Vapor_Pressure: | 0.0±2.5 mmHg at 25°C |
| Flash_Point: | 409.4±32.9 °C |
| LogP: | 3.55 |
| Bolling_Point: | 753.4±60.0 °C at 760 mmHg |
| PSA: | 69.06000 |
| Molecular_Structure: | ['1 . Molar refractive index 13911 ', '2 . Molar volume 3849 ', '3 . Parachor （902K）10345 ', '4 . Surface tension 521 ', '5 . Polarizability 5515'] |
| Computational_Chemistry: | ['1 . XlogP 43 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 7 ', '5 . TPSA 691 ', '6 . Heavy Atom Count 36 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 736 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 2 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1'] |
| Melting_Point: | 146°C |
| MF: | C26H28Cl2N4O4 |
| Exact_Mass: | 530.148743 |
| FW: | 531.431 |
| Density: | 1.4±0.1 g/cm3 |
| More_Info: | ['1 . Appearance White 结晶性粉末。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）146 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）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 不能Soluble in Water 。'] |
| Symbol: | GHS06, GHS08, GHS09 |
|---|---|
| RIDADR: | UN 2811 6.1/PG 3 |
| HS_Code: | 2933990090 |
| Packing_Group: | III |
| Hazard_Class: | 6.1(b) |
| Risk_Statements(EU): | R25 |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| RTECS: | TK7912300 |
| Hazard_Codes: | T:Toxic; |
| Warning_Statement: | P201-P273-P301 + P310-P308 + P313-P501 |
| Safety_Statements: | H301-H360F-H373-H410 |
