![(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate Structure](/CAS/20180528/GIF/130007-86-2.gif)
(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate
- Product Name(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate
- CAS130007-86-2
- MFC18H20ClNO3
- MW333.81
- EINECS
- MOL File130007-86-2.mol
Chemical Properties
| Melting point | 161 °C (decomp) |
| Boiling point | 493.7±45.0 °C(Predicted) |
| Density | 1.275±0.06 g/cm3(Predicted) |
| storage temp. | -20°C |
| pka | 9.63±0.40(Predicted) |
| form | powder |
| optical activity | [α]/D -89.0, c = 0.05% in chloroform |
| InChI | 1S/C18H20ClNO3/c1-18(2,3)23-17(22)20-10-11(9-19)16-13-7-5-4-6-12(13)15(21)8-14(16)20/h4-8,11,21H,9-10H2,1-3H3/t11-/m1/s1 |
| InChIKey | DGPQGWRHSMFTSW-LLVKDONJSA-N |
| SMILES | OC1=C2C(C=CC=C2)=C3C(N(C(OC(C)(C)C)=O)C[C@H]3CCl)=C1 |
Safety Information
| RIDADR | UN 3077 9 / PGIII |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 |