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· · COA & SDS available for every product · Same-day shipping on in-stock items 3'-Nitroacetanilide - ≥98% , CAS No.122-28-1
Synonyms
MS-1807 | 3'-Nitroacetanilide | 3-Nitroacetanilide | EINECS 204-532-6 | NCGC00246571-01 | D91639 | NSC99339 | NSC-99339 | HMS2614A20 | Q27287255 | STK257092 | DTXSID5059539 | MFCD00017015 | N-Acetyl-m-nitroaniline | AMY24877 | Acetanilide, 3'-nitro- | AKO
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Why this grade ≥98% 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
MS-1807 | 3'-Nitroacetanilide | 3-Nitroacetanilide | EINECS 204-532-6 | NCGC00246571-01 | D91639 | NSC99339 | NSC-99339 | HMS2614A20 | Q27287255 | STK257092 | DTXSID5059539 | MFCD00017015 | N-Acetyl-m-nitroaniline | AMY24877 | Acetanilide, 3'-nitro- | AKO
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488183130 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488183130 Canonical Smiles CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-] IUPAC Name N-(3-nitrophenyl)acetamide InChIKey KFTYNYHJHKCRKU-UHFFFAOYSA-N INCHI 1S/C8H8N2O3/c1-6(11)9-7-3-2-4-8(5-7)10(12)13/h2-5H,1H3,(H,9,11) Isomeric SMILES CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-] WGK Germany 3 Molecular Weight 180.16 Beilstein 12(3)1551 Reaxy-Rn 2211961 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2211961&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 Anilides Intermediate Tree Nodes Not available Direct Parent Acetanilides Alternative Parents Nitrobenzenes N-acetylarylamines Nitroaromatic compounds Acetamides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Acetanilide - N-acetylarylamine - Nitrobenzene - Nitroaromatic compound - N-arylamide - Acetamide - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group. 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(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 151-158°C Molecular Weight 180.160 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 180.053 Da Monoisotopic Mass 180.053 Da Topological Polar Surface Area 74.900 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 212.000 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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