≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | 488195068 |
|---|---|
| Canonical Smiles | CC(C)(C)OC(=O)N1C=CC=C1C=O |
| IUPAC Name | tert-butyl 2-formylpyrrole-1-carboxylate |
| InChIKey | NSHLHMBABZKJHP-UHFFFAOYSA-N |
| INCHI | 1S/C10H13NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h4-7H,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1C=CC=C1C=O |
| WGK Germany | 3 |
| Molecular Weight | 195.22 |
| Reaxy-Rn | 6920427 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6920427&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 | Aryl-aldehydes Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrrole-1-carboxylic acid or derivatives - Aryl-aldehyde - Substituted pyrrole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - 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 |
|---|---|---|---|
 B2302801 | Certificate of Analysis | Nov 15, 2024 | I167684 |
| B2302705 | Certificate of Analysis | Nov 15, 2024 | I167684 |
| B2302687 | Certificate of Analysis | Nov 15, 2024 | I167684 |
| B2302686 | Certificate of Analysis | Nov 07, 2024 | I167684 |
| B2302788 | Certificate of Analysis | Nov 07, 2024 | I167684 |
| B2302794 | Certificate of Analysis | Nov 07, 2024 | I167684 |
| B2303705 | Certificate of Analysis | Nov 14, 2022 | I167684 |
| Flash Point(°F) | 225°F |
|---|---|
| Flash Point(°C) | 107 °C |
| Melt Point(°C) | 49-53°C |
| Molecular Weight | 195.210 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 195.09 Da |
| Monoisotopic Mass | 195.09 Da |
| Topological Polar Surface Area | 48.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 232.000 |
| 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 |
