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· · COA & SDS available for every product · Same-day shipping on in-stock items Ethyl 5-acetoxy-6-bromo-2-(bromomethyl)-1-methyl-1h-indole-3-carboxylate - ≥98% , CAS No.110543-98-1
Synonyms
ChemDiv1_011736 | BBL003315 | MFCD00407019 | N-Ethyl-N-((5-methyl-7-nitro-1H-indol-3-yl)methyl)ethanamine | C15H15Br2NO4 | EU-0052337 | SCHEMBL9585968 | SR-01000321348-1 | SY016502 | A894882 | 5-Acetoxy-6-bromo-2-bromomethyl-1-methyl-1H-indole-3-carboxyli
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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
ChemDiv1_011736 | BBL003315 | MFCD00407019 | N-Ethyl-N-((5-methyl-7-nitro-1H-indol-3-yl)methyl)ethanamine | C15H15Br2NO4 | EU-0052337 | SCHEMBL9585968 | SR-01000321348-1 | SY016502 | A894882 | 5-Acetoxy-6-bromo-2-bromomethyl-1-methyl-1H-indole-3-carboxyli
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 504757724 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504757724 Canonical Smiles CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CBr IUPAC Name ethyl 5-acetyloxy-6-bromo-2-(bromomethyl)-1-methylindole-3-carboxylate InChIKey MESMQGKAVXOGHJ-UHFFFAOYSA-N INCHI 1S/C15H15Br2NO4/c1-4-21-15(20)14-9-5-13(22-8(2)19)10(17)6-11(9)18(3)12(14)7-16/h5-6H,4,7H2,1-3H3 Isomeric SMILES CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CBr Molecular Weight 433.1 Reaxy-Rn 4758779 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4758779&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 N-alkylindoles Indoles Pyrrole carboxylic acids and derivatives Aryl bromides Benzenoids N-methylpyrroles Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organobromides Organonitrogen compounds Organopnictogen compounds Alkyl bromides Molecular Framework Aromatic heteropolycyclic compounds Substituents Indolecarboxylic acid derivative - N-alkylindole - Indole - Pyrrole-3-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Benzenoid - Substituted pyrrole - N-methylpyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organooxygen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkyl bromide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - 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 433.090 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 6 Exact Mass 432.935 Da Monoisotopic Mass 430.937 Da Topological Polar Surface Area 57.500 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 434.000 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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