3',6'-Dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
- Product Name3',6'-Dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
- CAS3326-31-6
- MFC21H11NO5S
- MW389.38
- EINECS
- MOL File3326-31-6.mol
Chemical Properties
Boiling point | 722.7±60.0 °C(Predicted) |
Density | 1.54±0.1 g/cm3(Predicted) |
storage temp. | 2-8°C |
pka | 9.31±0.20(Predicted) |
form | Solid |
color | Light brown to brown |
InChI | InChI=1S/C21H11NO5S/c23-11-4-6-13-17(8-11)26-18-9-12(24)5-7-14(18)21(13)15-2-1-3-16(22-10-28)19(15)20(25)27-21/h1-9,23-24H |
InChIKey | NUKUMXUIWPGENW-UHFFFAOYSA-N |
SMILES | C12(C3=C(C=C(O)C=C3)OC3=C1C=CC(O)=C3)C1=C(C(N=C=S)=CC=C1)C(=O)O2 |
Safety Information
Hazard Codes | Xn |
Risk Statements | 20/21/22-36/37/38-42/43 |
Safety Statements | 26-36 |