≥96% 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 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488184202 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184202 |
| Canonical Smiles | C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O |
| IUPAC Name | 3-nitrophthalic acid |
| InChIKey | KFIRODWJCYBBHY-UHFFFAOYSA-N |
| INCHI | 1S/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13) |
| Isomeric SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 211.13 |
| Beilstein | 2054269 |
| Reaxy-Rn | 2054269 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2054269&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 | Nitrobenzenes Benzoic acids Nitroaromatic compounds Benzoyl derivatives Dicarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzoate - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Dicarboxylic acid or derivatives - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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 |
|---|---|---|---|
 B2210097 | Certificate of Analysis | Oct 30, 2025 | N106589 |
| B2210258 | Certificate of Analysis | Oct 30, 2025 | N106589 |
| L2106397 | Certificate of Analysis | Sep 09, 2025 | N106589 |
| F2503445 | Certificate of Analysis | Jul 17, 2024 | N106589 |
| E2410057 | Certificate of Analysis | May 21, 2024 | N106589 |
| E2305089 | Certificate of Analysis | May 15, 2023 | N106589 |
| B2210078 | Certificate of Analysis | Feb 14, 2022 | N106589 |
| D2321408 | Certificate of Analysis | Feb 14, 2022 | N106589 |
| D2321409 | Certificate of Analysis | Feb 14, 2022 | N106589 |
| Melt Point(°C) | 213-216°C |
|---|---|
| Molecular Weight | 211.130 g/mol |
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 211.012 Da |
| Monoisotopic Mass | 211.012 Da |
| Topological Polar Surface Area | 120.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 296.000 |
| 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. Zexi Wu, Caijie Shi, Tao Peng, Qiannan Cheng, Qingquan Tang, Luoxin Wang, Hua Wang, Siwei Xiong. (2023) Effects of ionic liquids as catalysts on liquid crystal aromatic polyester based on thin-film polymerization technique. JOURNAL OF APPLIED POLYMER SCIENCE, [PMID:] [10.1002/app.55012] |
| 2. Zhihan Liang, Xiaohan Li, Shaochang Ji, Jiayi Cheng, Haiquan Jing, Jinyan Zhang, Yanyue Lu. (2023) Pyrazinamide-3-Nitrophthalic Acid Cocrystals: Synthesis, Transformation, and Property Evaluation. CRYSTAL GROWTH & DESIGN, [PMID:] [10.1021/acs.cgd.3c00790] |
| 3. Ling-Dong Chen, Lin-Xia Zhou, Yue-Qing Zheng, Hong-Lin Zhu. (2017) Two new Ag (I) supramolecular complexes based on melamine: Synthesis, structures and photocatalytic activity under visible light irradiation. POLYHEDRON, [PMID:] [10.1016/j.poly.2017.01.031] |
| 4. Qiannan Cheng, Tao Peng, Caijie Shi, Qingquan Tang, Siwei Xiong, Ming Yang, Luoxin Wang, Hua Wang. (2024) Synthesis and polymerization kinetics of bio-based liquid crystal polyesters based on plant-derived phenolic acid. REACTIVE & FUNCTIONAL POLYMERS, [PMID:] [10.1016/j.reactfunctpolym.2024.106022] |
