≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged 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 | 528760889 |
|---|---|
| Canonical Smiles | C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-].[Na+] |
| IUPAC Name | sodium;4-nitrobenzoate |
| InChIKey | UFLMJULGUPSTCY-UHFFFAOYSA-M |
| INCHI | 1S/C7H5NO4.Na/c9-7(10)5-1-3-6(4-2-5)8(11)12;/h1-4H,(H,9,10);/q;+1/p-1 |
| Isomeric SMILES | C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-].[Na+] |
| Molecular Weight | 189.10 |
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 Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzoate - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Carboxylic acid salt - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic salt - Organic sodium salt - 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 |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2517649 | Certificate of Analysis | Feb 08, 2025 | S694589 |
| G2517650 | Certificate of Analysis | Feb 08, 2025 | S694589 |
| G2517651 | Certificate of Analysis | Feb 08, 2025 | S694589 |
| G2517652 | Certificate of Analysis | Feb 08, 2025 | S694589 |
| G2517653 | Certificate of Analysis | Feb 08, 2025 | S694589 |
| G2517654 | Certificate of Analysis | Feb 08, 2025 | S694589 |
| G2517655 | Certificate of Analysis | Feb 08, 2025 | S694589 |
| G2517674 | Certificate of Analysis | Feb 08, 2025 | S694589 |
| Molecular Weight | 189.100 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 189.004 Da |
| Monoisotopic Mass | 189.004 Da |
| Topological Polar Surface Area | 86.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 185.000 |
| 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 | 2 |
| 1. Xia Shuai, Tan Hao, Zhang Jianfang, Han Miao, Xu Chang, Yu Cuiping, Chen Kui, Zhang Yong, Wu Yucheng, Wang Yan. (2026) Direct electrosynthesis of acetamide from CO2 and nitrate via an atomically engineered dual-site catalyst. Nature Communications, [PMID:] [10.1038/s41467-026-76064-8] |
