≥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.
| Canonical Smiles | C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)C3(N=N3)C(F)(F)F |
|---|---|
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 4-[3-(trifluoromethyl)diazirin-3-yl]benzoate |
| InChIKey | INRPFQHJCXWTGK-UHFFFAOYSA-N |
| INCHI | 1S/C13H8F3N3O4/c14-13(15,16)12(17-18-12)8-3-1-7(2-4-8)11(22)23-19-9(20)5-6-10(19)21/h1-4H,5-6H2 |
| Isomeric SMILES | C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)C3(N=N3)C(F)(F)F |
| PubChem CID | 13063207 |
| Molecular Weight | 327.21 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acids and derivatives |
| Alternative Parents | Benzoyl derivatives Pyrrolidine-2-ones Dicarboximides Lactams Propargyl-type 1,3-dipolar organic compounds Diazirines Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzoic acid or derivatives - Benzoyl - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Lactam - Carboxylic acid derivative - Diazirine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring. |
| 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 |
|---|---|---|---|
 D2411426 | Certificate of Analysis | Mar 09, 2024 | D665926 |
| Melt Point(°C) | 92-93° C |
|---|---|
| Molecular Weight | 327.210 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 327.047 Da |
| Monoisotopic Mass | 327.047 Da |
| Topological Polar Surface Area | 88.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 560.000 |
| 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 |
