DIGITOXIN
Catalog No: FT-0603272
CAS No: 71-63-6
- Molecular Formula: 764.9
- Formula Weight: C41H64O13
- Inchl Key: WDJUZGPOPHTGOT-XUDUSOBPSA-N
- Inchl: InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/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: | GHS02, GHS06, GHS08 |
|---|---|
| CAS: | 71-63-6 |
| Flash_Point: | 269.5±27.8 °C |
| Product_Name: | Digitoxin |
| Bolling_Point: | 902.3±65.0 °C at 760 mmHg |
| FW: | 764.939 |
| Melting_Point: | 240ºC (dec.)(lit.) |
| MF: | C41H64O13 |
| Density: | 1.3±0.1 g/cm3 |
| Refractive_Index: | 1.594 |
|---|---|
| Vapor_Pressure: | 0.0±0.6 mmHg at 25°C |
| Flash_Point: | 269.5±27.8 °C |
| LogP: | 2.44 |
| Bolling_Point: | 902.3±65.0 °C at 760 mmHg |
| PSA: | 182.83000 |
| Molecular_Structure: | ['1 . Molar refractive index 19487 ', '2 . Molar volume 5745 ', '3 . Parachor （902K）16075 ', '4 . Surface tension 612 ', '5 . Polarizability 7725'] |
| Computational_Chemistry: | ['1 . XlogP 23 ', '2 . Hydrogen Bond Donor Count 5 ', '3 . Hydrogen Bond Acceptor Count 13 ', '4 . Rotatable Bond Count 7 ', '5 . TPSA 183 ', '6 . Heavy Atom Count 54 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 1410 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 20 ', '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: | 240ºC (dec.)(lit.) |
| MF: | C41H64O13 |
| Exact_Mass: | 764.434692 |
| FW: | 764.939 |
| Density: | 1.3±0.1 g/cm3 |
| More_Info: | ['1 . Appearance 洋地黄毒苷为White or 淡Yellow 结晶性粉末 ', '2 . Density（g/mL,25/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）256～257ºC ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC, 52 kPa）不确定 ', '7 . Refractive index17 ° (C=2, CHCl3) ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）+48°, c=12，二噁烷 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25 ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60 ºC）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 Soluble in 酸氯仿丙酮and 吡啶，微Soluble in Water and 石油醚。无臭，味苦。'] |
| Symbol: | GHS02, GHS06, GHS08 |
|---|---|
| RIDADR: | UN 2811 |
| Packing_Group: | II |
| Hazard_Class: | 6.1(a) |
| Risk_Statements(EU): | R23/25;R33 |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| RTECS: | IH2275000 |
| Hazard_Codes: | T: Toxic; |
| Warning_Statement: | P210-P260-P280-P301 + P310-P311 |
| Safety_Statements: | H225-H301 + H311 + H331-H370 |
