≥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.
Usually used in the synthesis of following:pyrrole-2-carboxylates, tris[2-(2-pyrryl-carboxy)ethyl]amine and tetrakis(2-pyrryl-carboxy-methyl)methane,1-oxo-2,3-disubstituted -pyrrolo[1,2-a]pyrazines,4-pyridylmethyl 1H-pyrrole-2-carboxyl-ate.
| Pubchem Sid | 504758469 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758469 |
| Canonical Smiles | C1=CNC(=C1)C(=O)C(Cl)(Cl)Cl |
| IUPAC Name | 2,2,2-trichloro-1-(1H-pyrrol-2-yl)ethanone |
| InChIKey | BBFDGMDENAEMKF-UHFFFAOYSA-N |
| INCHI | 1S/C6H4Cl3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h1-3,10H |
| Isomeric SMILES | C1=CNC(=C1)C(=O)C(Cl)(Cl)Cl |
| WGK Germany | 3 |
| PubChem CID | 321487 |
| Molecular Weight | 212.46 |
| Reaxy-Rn | 135479 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones |
| Direct Parent | Aryl alkyl ketones |
| Alternative Parents | Substituted pyrroles Heteroaromatic compounds Alpha-chloroketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl alkyl ketone - Substituted pyrrole - Alpha-haloketone - Alpha-chloroketone - Pyrrole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. |
| External Descriptors | Not available |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 72-74°C |
| Molecular Weight | 212.500 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 210.936 Da |
| Monoisotopic Mass | 210.936 Da |
| Topological Polar Surface Area | 32.900 Ų |
| Heavy Atom Count | 11 |
| 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 |
J2026018