≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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 | 488186326 |
|---|---|
| Canonical Smiles | C1=C(C=C(C(=C1O)[N+](=O)[O-])O)O |
| IUPAC Name | 2-nitrobenzene-1,3,5-triol |
| InChIKey | QSVQZFVXAUGEMT-UHFFFAOYSA-N |
| INCHI | 1S/C6H5NO5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H |
| Isomeric SMILES | C1=C(C=C(C(=C1O)[N+](=O)[O-])O)O |
| WGK Germany | 3 |
| Molecular Weight | 171.11 |
| Reaxy-Rn | 1963331 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1963331&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 | Phenols |
| Subclass | Nitrophenols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrophenols |
| Alternative Parents | Phloroglucinols and derivatives Nitrobenzenes Nitroaromatic compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Polyols Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrophenol - Benzenetriol - Nitrobenzene - Phloroglucinol derivative - Nitroaromatic compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Polyol - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms. |
| External Descriptors | benzenetriol |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2018048 | Certificate of Analysis | Oct 14, 2025 | N167770 |
| H2514079 | Certificate of Analysis | Aug 23, 2025 | N167770 |
| A2225147 | Certificate of Analysis | Nov 14, 2024 | N167770 |
| A2225130 | Certificate of Analysis | Nov 06, 2024 | N167770 |
| A2225131 | Certificate of Analysis | Nov 06, 2024 | N167770 |
| A2225132 | Certificate of Analysis | Nov 06, 2024 | N167770 |
| Melt Point(°C) | 189-193 °C |
|---|---|
| Molecular Weight | 171.110 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 171.017 Da |
| Monoisotopic Mass | 171.017 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 167.000 |
| 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 |
