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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 5-nitro-1H-indole-3-carboxylate - ≥95% , CAS No.686747-51-3
Synonyms
AKOS016008172 | MFCD06204072 | DTXSID10731550 | Methyl 5-nitro-1H-indole-3-carboxylate | 5-nitro-1h-indole-3-carboxylic acid methyl ester | SY058868 | methyl 5-nitro-1H-indole-3-carboxylate;Methyl 5-Nitroindole-3-carboxylate | FT-0759682 | Methyl 5-Nitroi
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Why this grade ≥95% 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
AKOS016008172 | MFCD06204072 | DTXSID10731550 | Methyl 5-nitro-1H-indole-3-carboxylate | 5-nitro-1h-indole-3-carboxylic acid methyl ester | SY058868 | methyl 5-nitro-1H-indole-3-carboxylate;Methyl 5-Nitroindole-3-carboxylate | FT-0759682 | Methyl 5-Nitroi
Specifications & Purity
≥95%
Names and Identifiers Canonical Smiles COC(=O)C1=CNC2=C1C=C(C=C2)[N+](=O)[O-] IUPAC Name methyl 5-nitro-1H-indole-3-carboxylate InChIKey MMDKJGMVXBELQV-UHFFFAOYSA-N INCHI 1S/C10H8N2O4/c1-16-10(13)8-5-11-9-3-2-6(12(14)15)4-7(8)9/h2-5,11H,1H3 Isomeric SMILES COC(=O)C1=CNC2=C1C=C(C=C2)[N+](=O)[O-] Molecular Weight 220.18 Reaxy-Rn 11034697 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11034697&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 Organoheterocyclic compounds Class Indoles and derivatives Subclass Indolecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Indolecarboxylic acids and derivatives Alternative Parents Indoles Pyrrole carboxylic acids and derivatives Nitroaromatic compounds Substituted pyrroles Benzenoids Vinylogous amides Heteroaromatic compounds Methyl esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic cations Molecular Framework Aromatic heteropolycyclic compounds Substituents Indolecarboxylic acid derivative - Indole - Nitroaromatic compound - Pyrrole-3-carboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Vinylogous amide - Pyrrole - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. 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 Molecular Weight 220.180 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 220.048 Da Monoisotopic Mass 220.048 Da Topological Polar Surface Area 87.900 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 302.000 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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