Introduction：Basic information about Indole-5-carboxaldehyde CAS 1196-69-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Indole-5-carboxaldehyde Basic information
| Product Name: | Indole-5-carboxaldehyde |
| Synonyms: | 1H-indol-5-carbaldehyde;1H-INDOLE-5-CARBALDEHYDE;1H-INDOLE-5-CARBOXALDEHYDE;5-INDOLE ALDEHYDE;5-FORMYLINDOLE;INDOLE-5-CARBALDEHYDE;INDOLE-5-ALDEHYDE;INDOLE-5-CARBOXALDEHYDE |
| CAS: | 1196-69-6 |
| MF: | C9H7NO |
| MW: | 145.16 |
| EINECS: | 627-955-1 |
| Product Categories: | Simple Indoles;Building Blocks;Indole;Building Blocks;Indole Derivatives;Heterocyclic Building Blocks;ALDEHYDE;Aldehydes;blocks;IndolesOxindoles;Indoles and derivatives;Indoles;Heterocycle-Indole series |
| Mol File: | 1196-69-6.mol |
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Indole-5-carboxaldehyde Chemical Properties
| Melting point | 100-103 °C(lit.) |
| Boiling point | 339.1±15.0 °C(Predicted) |
| density | 1.278±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | DMSO, Methanol |
| form | Powder |
| pka | 16.14±0.30(Predicted) |
| color | Orange or tan |
| Water Solubility | Insoluble in water. |
| Sensitive | Air Sensitive |
| InChI | 1S/C9H7NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-6,10H |
| InChIKey | ADZUEEUKBYCSEY-UHFFFAOYSA-N |
| SMILES | O=Cc1ccc2[nH]ccc2c1 |
| CAS DataBase Reference | 1196-69-6(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36/37/39 |
| WGK Germany | 3 |
| Hazard Note | Irritant/Keep Cold |
| HazardClass | IRRITANT |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
Indole-5-carboxaldehyde Usage And Synthesis
| Chemical Properties | Red Crystalline Powder |
| Uses | Reactant in preparation of curcumin derivatives as anti-proliferative & anti-inflammatory agents 1 Reactant in preparation of analogs of botulinum neurotoxin serotype A protease inhibitors 2 Reactant in stereoselective synthesis of dibenzylideneacetone derivatives as β-amyloid imaging probes 3 Reactant in synthesis of para-para stilbenophanes by McMurry coupling 4 Reactant in stereoselective synthesis of heteroaromatic (E)-α,β-unsaturated ketones from aldehydes 5 Reactant in structure-based drug design of aurora kinase A inhibitors. |
| Uses | Indole-5-carboxaldehyde is used as a reactant in preparation of curcumin derivatives as anti-proliferative & anti-inflammatory agents; and in synthesis of para-para stilbenophanes by McMurry coupling. It is also used as a reactant in stereoselective synthesis of dibenzylideneacetone derivatives as β-amyloid imaging probes and in structure-based drug design of aurora kinase A inhibitors. |
Indole-5-carboxaldehyde Preparation Products And Raw materials
| Raw materials | N,N-Dimethylformamide-->tert-Butyllithium-->5-Bromoindole-->Potassium hydride-->1H-Indole, 5-(1,3-dioxolan-2-yl)--->1H-Indole, 5-(nitromethyl)--->Indole-5-carboxylic acid-->5-Cyanoindole-->5-IODOINDOLE-->carbon monoxide-->Indole-->Glyoxylic acid |
| Preparation Products | INDOLE-5-METHANOL-->1-(2-fluorobenzyl)-1H-indole-5-carbaldehyde-->1-ethyl-1H-indole-5-carbaldehyde |
