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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-(Hydroxymethyl)-3-nitrobenzoic acid - ≥97% , CAS No.82379-38-2
Synonyms
4-(hydroxymethyl)-3-nitrobenzoicacid | DTXSID30363554 | Benzoic acid, 4-(hydroxymethyl)-3-nitro- | 4-HYDROXYMETHYL-3-NITROBENZOICACID | A840314 | MFCD01076314 | 4-Hydroxymethyl-3-nitrobenzoic acid | 4-HYDROXYMETHYL-3-NITRO-BENZOIC ACID | AM20041205 | DS-7
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Why this grade ≥97% 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
4-(hydroxymethyl)-3-nitrobenzoicacid | DTXSID30363554 | Benzoic acid, 4-(hydroxymethyl)-3-nitro- | 4-HYDROXYMETHYL-3-NITROBENZOICACID | A840314 | MFCD01076314 | 4-Hydroxymethyl-3-nitrobenzoic acid | 4-HYDROXYMETHYL-3-NITRO-BENZOIC ACID | AM20041205 | DS-7
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 488191863 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488191863 Canonical Smiles C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CO IUPAC Name 4-(hydroxymethyl)-3-nitrobenzoic acid InChIKey KUOYLJCVVIDGBZ-UHFFFAOYSA-N INCHI 1S/C8H7NO5/c10-4-6-2-1-5(8(11)12)3-7(6)9(13)14/h1-3,10H,4H2,(H,11,12) Isomeric SMILES C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CO Molecular Weight 197.15 Reaxy-Rn 4866568 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4866568&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 Benzoic acids Nitrobenzenes Benzoyl derivatives Benzyl alcohols Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxoazanium compounds Primary alcohols Hydrocarbon derivatives Aromatic alcohols Organonitrogen compounds Organic zwitterions Organic oxides Organopnictogen compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzoate - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Benzyl alcohol - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic alcohol - Organic zwitterion - Alcohol - 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 Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 197.140 g/mol XLogP3 0.400 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 197.032 Da Monoisotopic Mass 197.032 Da Topological Polar Surface Area 103.000 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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