Physicochemical Properties
| Molecular Formula | C20H12O5CL2 |
| Molecular Weight | 403.21228 |
| Exact Mass | 402.006 |
| CAS # | 106070-31-9 |
| PubChem CID | 14598431 |
| Appearance | Pink to orange solid powder |
| Density | 1.583g/cm3 |
| Boiling Point | 553.7ºC at 760mmHg |
| Flash Point | 288.7ºC |
| Vapour Pressure | 4.26E-13mmHg at 25°C |
| Index of Refraction | 1.717 |
| LogP | 5.388 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 27 |
| Complexity | 531 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | ClC1C(O)=CC2=C(C(C3C=CC=CC=3C(O)=O)C3C(O2)=CC(O)=C(Cl)C=3)C=1 |
| InChi Key | XDFNWJDGWJVGGN-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C20H12Cl2O5/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26/h1-8,19,23-24H,(H,25,26) |
| Chemical Name | 2-(2,7-dichloro-3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| Additional Infomation | See also: 2',7'-Dichlorofluorescein (annotation moved to). |
Solubility Data
| Solubility (In Vitro) | DMSO : ~250 mg/mL (~620.02 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 20.83 mg/mL (51.66 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 208.3 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (5.16 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 3: ≥ 2.08 mg/mL (5.16 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4801 mL | 12.4005 mL | 24.8010 mL | |
| 5 mM | 0.4960 mL | 2.4801 mL | 4.9602 mL | |
| 10 mM | 0.2480 mL | 1.2400 mL | 2.4801 mL |