![3',6'-Dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one 化学構造式](https://www.chemicalbook.com/CAS/GIF/3326-31-6.gif)
3',6'-Dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
化学名:3',6'-Dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
CAS番号.3326-31-6
英語名:3',6'-Dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
CBNumberCB62129934
MFC21H11NO5S
MW389.38
MOL File3326-31-6.mol
3',6'-Dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one物理性質
| 沸点 | 722.7±60.0 °C(Predicted) |
| 比重(密度) | 1.54±0.1 g/cm3(Predicted) |
| 貯蔵温度 | 2-8°C |
| 酸解離定数(Pka) | 9.31±0.20(Predicted) |
| 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 |
| 主な危険性 | Xn |
| Rフレーズ | 20/21/22-36/37/38-42/43 |
| Sフレーズ | 26-36 |