≥98%(HPLC) 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504751175 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751175 |
| Canonical Smiles | C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O |
| IUPAC Name | 2-hydroxy-3-nitrobenzoic acid |
| InChIKey | WWWFHFGUOIQNJC-UHFFFAOYSA-N |
| INCHI | 1S/C7H5NO5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H,(H,10,11) |
| Isomeric SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O |
| WGK Germany | 3 |
| RTECS | VO5300000 |
| Molecular Weight | 183.12 |
| Reaxy-Rn | 2213132 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2213132&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 | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzoic acids and derivatives |
| Alternative Parents | Salicylic acids Nitrophenols Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzoate - Hydroxybenzoic acid - Nitrophenol - Salicylic acid or derivatives - Salicylic acid - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Vinylogous acid - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms. |
| 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 |
|---|---|---|---|
 K2503119 | Certificate of Analysis | Nov 11, 2025 | N159333 |
| K2506098 | Certificate of Analysis | Nov 08, 2025 | N159333 |
| K2117630 | Certificate of Analysis | Sep 04, 2025 | N159333 |
| K2117634 | Certificate of Analysis | Sep 04, 2025 | N159333 |
| I2114059 | Certificate of Analysis | Jun 11, 2025 | N159333 |
| F2417044 | Certificate of Analysis | Jun 24, 2024 | N159333 |
| B2027019 | Certificate of Analysis | Dec 19, 2023 | N159333 |
| E2429016 | Certificate of Analysis | Sep 02, 2021 | N159333 |
| Solubility | Solubility in Methanol almost transparency |
|---|---|
| Melt Point(°C) | 145-150℃ |
| Molecular Weight | 183.120 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 183.017 Da |
| Monoisotopic Mass | 183.017 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 223.000 |
| 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 |
| 1. Xu Gao, Qi Zhang, Ziyi Yang, Yuefei Ji, Jing Chen, Junhe Lu. (2022) Formation of Nitrophenolic Byproducts during UV-Activated Peroxydisulfate Oxidation in the Presence of Nitrate. ACS ES&T Engineering, [PMID:] [10.1021/acsestengg.1c00356] |
| 2. Jiayue Dong, Peizeng Yang, Deyang Kong, Yiqiang Song, Junhe Lu. (2024) Formation of nitrated naphthalene in the sulfate radical oxidation process in the presence of nitrite. WATER RESEARCH, [PMID:38574612] [10.1016/j.watres.2024.121546] |
