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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-Methoxy-2-nitrobenzoic acid - ≥98%(HPLC) , CAS No.4920-80-3
Synonyms
A7366 | Benzoic acid, 3-methoxy-2-nitro- | m-Anisic acid, 2-nitro- | J-512752 | AKOS003242115 | EINECS 225-549-5 | InChI=1/C8H7NO5/c1-14-6-4-2-3-5(8(10)11)7(6)9(12)13/h2-4H,1H3,(H,10,11) | NSC 609 | YMOMYSDAOXOCID-UHFFFAOYSA- | AC-28705 | BP-12760 | CL809
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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 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.
Specifications Synonyms
A7366 | Benzoic acid, 3-methoxy-2-nitro- | m-Anisic acid, 2-nitro- | J-512752 | AKOS003242115 | EINECS 225-549-5 | InChI=1/C8H7NO5/c1-14-6-4-2-3-5(8(10)11)7(6)9(12)13/h2-4H, 1H3, (H, 10, 11) | NSC 609 | YMOMYSDAOXOCID-UHFFFAOYSA- | AC-28705 | BP-12760 | CL809
Specifications & Purity
≥98%(HPLC)
Names and Identifiers Pubchem Sid 504755306 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504755306 Canonical Smiles COC1=CC=CC(=C1[N+](=O)[O-])C(=O)O IUPAC Name 3-methoxy-2-nitrobenzoic acid InChIKey YMOMYSDAOXOCID-UHFFFAOYSA-N INCHI 1S/C8H7NO5/c1-14-6-4-2-3-5(8(10)11)7(6)9(12)13/h2-4H,1H3,(H,10,11) Isomeric SMILES COC1=CC=CC(=C1[N+](=O)[O-])C(=O)O WGK Germany 3 Molecular Weight 197.14 Beilstein 2214986 Reaxy-Rn 2214986 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2214986&ln=
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 M-methoxybenzoic acids and derivatives Nitrophenyl ethers Benzoic acids Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzoate - Nitrophenyl ether - M-methoxybenzoic acid or derivatives - Benzoic acid - Methoxyaniline - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen 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 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 Methanol Melt Point(°C) 253-257°C Molecular Weight 197.140 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 197.032 Da Monoisotopic Mass 197.032 Da Topological Polar Surface Area 92.400 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 236.000 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
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