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· · COA & SDS available for every product · Same-day shipping on in-stock items Sodium 3-Nitrobenzoate - ≥98%(HPLC) , CAS No.827-95-2
Synonyms
Benzoic acid, 3-nitro-, sodium salt | Benzoic acid, m-nitro-, sodium salt | NCGC00256201-01 | Tox21_301867 | AS-12431 | sodium;3-nitrobenzoate | CAS-827-95-2 | Q27280252 | SODIUM M-NITROBENZOATE | S0837 | Sodium 3-nitrobenzoate | 3-Nitrobenzoic acid sodiu
Storage
Room temperature,Argon charged
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Why this grade ≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview Sodium 3-nitrobenzoate may be used in the synthesis of [Ni(cyclam)(3-nitrobenzoate)2] complex. [Cyclam = 1,4,8,11-tetraazacyclotetradecane]
Specifications Synonyms
Benzoic acid, 3-nitro-, sodium salt | Benzoic acid, m-nitro-, sodium salt | NCGC00256201-01 | Tox21_301867 | AS-12431 | sodium;3-nitrobenzoate | CAS-827-95-2 | Q27280252 | SODIUM M-NITROBENZOATE | S0837 | Sodium 3-nitrobenzoate | 3-Nitrobenzoic acid sodiu
Specifications & Purity
≥98%(HPLC)
Storage
Room temperature, Argon charged
Names and Identifiers Canonical Smiles C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)[O-].[Na+] IUPAC Name sodium;3-nitrobenzoate InChIKey MUADFEZFSKAZLT-UHFFFAOYSA-M INCHI 1S/C7H5NO4.Na/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-4H,(H,9,10);/q;+1/p-1 Isomeric SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)[O-].[Na+] WGK Germany 3 PubChem CID 70014 Molecular Weight 189.1 Reaxy-Rn 4166479
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification 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 Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in water. Sensitivity Moisture sensitive. 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 193.000 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
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