≥98% 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 | 528765901 |
|---|---|
| Canonical Smiles | CC(C)(C)OC(=O)N1C=CC=C1 |
| IUPAC Name | tert-butyl pyrrole-1-carboxylate |
| InChIKey | IZPYBIJFRFWRPR-UHFFFAOYSA-N |
| INCHI | 1S/C9H13NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-7H,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1C=CC=C1 |
| WGK Germany | 3 |
| Molecular Weight | 167.21 |
| Reaxy-Rn | 1423765 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1423765&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 | Pyrroles |
| Subclass | Pyrrole carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrole carboxylic acids and derivatives |
| Alternative Parents | Substituted pyrroles Heteroaromatic compounds Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrrole-1-carboxylic acid or derivatives - Substituted pyrrole - Heteroaromatic compound - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group (or a derivative thereof). |
| 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 |
|---|---|---|---|
 D2623450 | Certificate of Analysis | Mar 09, 2026 | I133868 |
| D2623451 | Certificate of Analysis | Mar 09, 2026 | I133868 |
| E2527016 | Certificate of Analysis | Jun 13, 2025 | I133868 |
| E2315285 | Certificate of Analysis | Feb 07, 2025 | I133868 |
| E2315289 | Certificate of Analysis | Feb 07, 2025 | I133868 |
| E2315296 | Certificate of Analysis | Feb 07, 2025 | I133868 |
| E2315299 | Certificate of Analysis | Feb 07, 2025 | I133868 |
| L2015025 | Certificate of Analysis | Jul 08, 2024 | I133868 |
| H1612044 | Certificate of Analysis | Jan 17, 2024 | I133868 |
| Refractive Index | n20/D 1.4685 (lit.) |
|---|---|
| Flash Point(°F) | 167 °F |
| Flash Point(°C) | 75 °C |
| Boil Point(°C) | 91-92 °C/20 mmHg (lit.) |
| Molecular Weight | 167.200 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 167.095 Da |
| Monoisotopic Mass | 167.095 Da |
| Topological Polar Surface Area | 31.200 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 166.000 |
| 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 |
