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· · COA & SDS available for every product · Same-day shipping on in-stock items methyl 4-nitro-1H-pyrrole-2-carboxylate - ≥97% , CAS No.13138-74-4
Synonyms
1H-Pyrrole-2-carboxylic acid, 4-nitro-, methyl ester | AKOS002666522 | BRZNAATZQZPGBQ-UHFFFAOYSA-N | methyl-4-nitropyrrole-2-carboxylate | SCHEMBL1160193 | J-522383 | KD-0219 | DTXSID00294169 | methyl 4-nitro-2-pyrrolecarboxylate | NSC94955 | NSC-94955 |
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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
1H-Pyrrole-2-carboxylic acid, 4-nitro-, methyl ester | AKOS002666522 | BRZNAATZQZPGBQ-UHFFFAOYSA-N | methyl-4-nitropyrrole-2-carboxylate | SCHEMBL1160193 | J-522383 | KD-0219 | DTXSID00294169 | methyl 4-nitro-2-pyrrolecarboxylate | NSC94955 | NSC-94955 |
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles COC(=O)C1=CC(=CN1)[N+](=O)[O-] IUPAC Name methyl 4-nitro-1H-pyrrole-2-carboxylate InChIKey BRZNAATZQZPGBQ-UHFFFAOYSA-N INCHI 1S/C6H6N2O4/c1-12-6(9)5-2-4(3-7-5)8(10)11/h2-3,7H,1H3 Isomeric SMILES COC(=O)C1=CC(=CN1)[N+](=O)[O-] Alternate CAS 13138-74-4 PubChem CID 261887 NSC Number 94955 Molecular Weight 170.12
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 Organic 1,3-dipolar compounds Class Allyl-type 1,3-dipolar organic compounds Subclass Organic nitro compounds Intermediate Tree Nodes C-nitro compounds Direct Parent Nitroaromatic compounds Alternative Parents Pyrrole carboxylic acids and derivatives Substituted pyrroles Methyl esters Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Nitroaromatic compound - Pyrrole-2-carboxylic acid or derivatives - Substituted pyrrole - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 192-193° Molecular Weight 170.120 g/mol XLogP3 0.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 170.033 Da Monoisotopic Mass 170.033 Da Topological Polar Surface Area 87.900 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 200.000 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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