≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads 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.
Reagent for the preparation of 4-nitrophenyl active esters from acids.
| Pubchem Sid | 504754411 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754411 |
| Canonical Smiles | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C(F)(F)F |
| IUPAC Name | (4-nitrophenyl) 2,2,2-trifluoroacetate |
| InChIKey | JFOIBTLTZWOAIC-UHFFFAOYSA-N |
| INCHI | 1S/C8H4F3NO4/c9-8(10,11)7(13)16-6-3-1-5(2-4-6)12(14)15/h1-4H |
| Isomeric SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C(F)(F)F |
| WGK Germany | 3 |
| Molecular Weight | 235.12 |
| Beilstein | 658785 |
| Reaxy-Rn | 658785 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=658785&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 | Benzenoids |
| Class | Phenol esters |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol esters |
| Alternative Parents | Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Alpha-halocarboxylic acid derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenol ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Monocyclic benzene moiety - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group. |
| 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 |
|---|---|---|---|
 D2422156 | Certificate of Analysis | Feb 05, 2026 | N133543 |
| D2422157 | Certificate of Analysis | Feb 05, 2026 | N133543 |
| D2422158 | Certificate of Analysis | Feb 05, 2026 | N133543 |
| D2422159 | Certificate of Analysis | Feb 05, 2026 | N133543 |
| C2009052 | Certificate of Analysis | Jul 09, 2025 | N133543 |
| Sensitivity | Moisture sensitive |
|---|---|
| Flash Point(°F) | 230 °F |
| Flash Point(°C) | 110 °C |
| Boil Point(°C) | 120°C/12mmHg |
| Melt Point(°C) | 35-39 °C |
| Molecular Weight | 235.120 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 235.009 Da |
| Monoisotopic Mass | 235.009 Da |
| Topological Polar Surface Area | 72.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 278.000 |
| 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 |
