130007-86-2
| Name | (S)-TERT-BUTYL 1-(CHLOROMETHYL)-5-HYDROXY-1H-BENZO[E]INDOLE-3(2H)-CARBOXYLATE |
| CAS | 130007-86-2 |
| Molecular Formula | C18H20ClNO3 |
| MDL Number | MFCD29059844 |
| Molecular Weight | 333.81 |
| MOL File | 130007-86-2.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 |
| form | powder |
| pka | 9.63±0.40(Predicted) |
| Optical Rotation | [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 Data
| Symbol(GHS) |   GHS07,GHS09 |
| Signal word | Warning |
| Hazard statements | H302-H410 |
| Precautionary statements | P273-P501 |
| 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 |