Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98%(with less than 4% ethanol) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
1.Reactant in regio- and stereoselective morpholine-catalyzed direct C-3 alkenylation with α,β-unsaturated aldehydes.
2.Reactant in selective debenzylation of protective groups using SiliaCat-palladium under mild reaction conditions.
3.Reactant in metal-free Friedel-Crafts alkylation reactions.
4.Reactant in preparation of protein kinase (PKC) inhibitors.
5.Reactant in preparation of indole/quinoline carbothioic acid amide derivatives.
| Pubchem Sid | 488182011 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182011 |
| Sonrisas canónicas | C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3 |
| IUPAC Name | 5-phenylmethoxy-1H-indole |
| InChIKey | JCQLPDZCNSVBMS-UHFFFAOYSA-N |
| INCHI | 1S/C15H13NO/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15/h1-10,16H,11H2 |
| Isómeros SMILES | C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3 |
| WGK Alemania | 3 |
| RTECS | NL4850000 |
| Número ONU | 2811 |
| Grupo de embalaje | III |
| Peso molecular | 223.27 |
| Beilstein | 173532 |
| Reaxy-Rn | 173532 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=173532&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indoles |
| Alternative Parents | Alkyl aryl ethers Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. |
| External Descriptors | Not available |
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| Sensibilidad | Air sensitive;Light sensitive |
|---|---|
| Punto de fusión (°C) | 96-101°C |
| Peso molecular | 223.270 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 223.1 Da |
| Monoisotopic Mass | 223.1 Da |
| Topological Polar Surface Area | 25.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 237.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |