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· · COA & SDS available for every product · Same-day shipping on in-stock items methyl 4-bromo-1H-indole-6-carboxylate - ≥97% , CAS No.882679-96-1
Synonyms
4-Bromo-1H-indole-6-carboxylic acid methyl ester | 1H-Indole-6-carboxylic acid, 4-broMo-, Methyl ester | 4-BROMO INDOLE-6-CARBOXYLIC ACID METHYL ESTER | A862260 | FT-0746603 | Methyl4-bromo-1H-indole-6-carboxylate | Methyl 4-bromo-1H-indole-6-carboxylate
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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-Bromo-1H-indole-6-carboxylic acid methyl ester | 1H-Indole-6-carboxylic acid, 4-broMo-, Methyl ester | 4-BROMO INDOLE-6-CARBOXYLIC ACID METHYL ESTER | A862260 | FT-0746603 | Methyl4-bromo-1H-indole-6-carboxylate | Methyl 4-bromo-1H-indole-6-carboxylate
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles COC(=O)C1=CC2=C(C=CN2)C(=C1)Br IUPAC Name methyl 4-bromo-1H-indole-6-carboxylate InChIKey BHADJPVQZXGIFH-UHFFFAOYSA-N INCHI 1S/C10H8BrNO2/c1-14-10(13)6-4-8(11)7-2-3-12-9(7)5-6/h2-5,12H,1H3 Isomeric SMILES COC(=O)C1=CC2=C(C=CN2)C(=C1)Br Molecular Weight 254.08 Reaxy-Rn 15016814 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15016814&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 Alternative Parents 3-halobenzoic acids and derivatives Indoles Aryl bromides Pyrroles Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Indolecarboxylic acid - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Indole - Aryl bromide - Aryl halide - Benzenoid - Pyrrole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group 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 254.080 g/mol XLogP3 2.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 252.974 Da Monoisotopic Mass 252.974 Da Topological Polar Surface Area 42.100 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 234.000 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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