| Melting point |
140-146°C |
| Boiling point |
442.0±55.0 °C(Predicted) |
| Density |
1.451±0.06 g/cm3(Predicted) |
| storage temp. |
2-8°C |
| solubility |
Practically insoluble in water, freely soluble in acetone, slightly soluble in anhydrous ethanol. |
| form |
Solid |
| pka |
pKa 6.56± 0.03(H2O,t =25,I=0.02)(Approximate) |
| color |
Light orange to Yellow to Green |
| biological source |
synthetic (organic) |
| Water Solubility |
Soluble in water (<50 µg/ml), 1:10 DMSO:PBS (pH 7.2) (<200 µg/ml), ethanol (1 mg/ml), DMSO (15 mg/ml), DMF (15 mg/ml), chloroform, dichloromethane, acetone (freely soluble), and 1N NaOH. |
| λmax |
391nm(H2O)(lit.) |
| Merck |
14,6548 |
| Stability |
Stable. Incompatible with strong oxidizing agents. |
| Major Application |
pharmaceutical (small molecule) |
| InChI |
1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3 |
| InChIKey |
HYWYRSMBCFDLJT-UHFFFAOYSA-N |
| SMILES |
CS(NC1=C(OC2=CC=CC=C2)C=C([N+]([O-])=O)C=C1)(=O)=O |
| CAS DataBase Reference |
51803-78-2(CAS DataBase Reference) |
| EPA Substance Registry System |
Methanesulfonamide, N-(4-nitro-2-phenoxyphenyl)- (51803-78-2) |
