≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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.
| Pubchem Sid | 504762604 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762604 |
| Canonical Smiles | CC(C)(C)OC(=O)N1C=CC2=CC=CC=C21 |
| IUPAC Name | tert-butyl indole-1-carboxylate |
| InChIKey | OWPIFQXNMLDXKW-UHFFFAOYSA-N |
| INCHI | 1S/C13H15NO2/c1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14/h4-9H,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1C=CC2=CC=CC=C21 |
| WGK Germany | 3 |
| Molecular Weight | 217.27 |
| Reaxy-Rn | 4674239 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4674239&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 |
| Class | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxylic acids |
| Alternative Parents | Indoles Pyrrole carboxylic acids and derivatives Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxylic acid - Indole - Pyrrole-1-carboxylic acid or derivatives - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2301650 | Certificate of Analysis | Mar 16, 2026 | B189199 |
| F2301537 | Certificate of Analysis | Mar 16, 2026 | B189199 |
| F2301536 | Certificate of Analysis | Mar 16, 2026 | B189199 |
| K1911001 | Certificate of Analysis | Jun 16, 2025 | B189199 |
| K2521326 | Certificate of Analysis | Jul 08, 2024 | B189199 |
| K2521327 | Certificate of Analysis | Jul 08, 2024 | B189199 |
| K2521328 | Certificate of Analysis | Jul 08, 2024 | B189199 |
| Refractive Index | 1.543 |
|---|---|
| Flash Point(°F) | 159.8 °F |
| Flash Point(°C) | 71 °C |
| Boil Point(°C) | 201 °C |
| Molecular Weight | 217.260 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 217.11 Da |
| Monoisotopic Mass | 217.11 Da |
| Topological Polar Surface Area | 31.200 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 270.000 |
| 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 |
