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· · COA & SDS available for every product · Same-day shipping on in-stock items Diethyl (5-Bromopentyl)malonate - ≥97%(GC) , CAS No.1906-95-2
Synonyms
Diethyl (5-bromopentyl)propanedioate | JZCAZGWJCVMTTQ-UHFFFAOYSA-N | BAA90695 | FT-0633903 | MFCD00048565 | AKOS025294804 | A813429 | B2083 | Diethyl 2-(5-bromopentyl)propanedioate | Propanedioic acid, 2-(5-bromopentyl)-, 1,3-diethyl ester | 2-(5-bromopen
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Why this grade ≥97%(GC) 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
Diethyl (5-bromopentyl)propanedioate | JZCAZGWJCVMTTQ-UHFFFAOYSA-N | BAA90695 | FT-0633903 | MFCD00048565 | AKOS025294804 | A813429 | B2083 | Diethyl 2-(5-bromopentyl)propanedioate | Propanedioic acid, 2-(5-bromopentyl)-, 1, 3-diethyl ester | 2-(5-bromopen
Specifications & Purity
≥97%(GC)
Names and Identifiers Canonical Smiles CCOC(=O)C(CCCCCBr)C(=O)OCC IUPAC Name diethyl 2-(5-bromopentyl)propanedioate InChIKey JZCAZGWJCVMTTQ-UHFFFAOYSA-N INCHI 1S/C12H21BrO4/c1-3-16-11(14)10(12(15)17-4-2)8-6-5-7-9-13/h10H,3-9H2,1-2H3 Isomeric SMILES CCOC(=O)C(CCCCCBr)C(=O)OCC Molecular Weight 309.2 Reaxy-Rn 1790616 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1790616&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 Lipids and lipid-like molecules Class Fatty Acyls Subclass Fatty acid esters Intermediate Tree Nodes Not available Direct Parent Fatty acid esters Alternative Parents Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Carboxylic acid esters Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides Molecular Framework Aliphatic acyclic compounds Substituents Fatty acid ester - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. 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 Refractive Index 1.46 Boil Point(°C) 161°C/3mmHg(lit.) Molecular Weight 309.200 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 11 Exact Mass 308.062 Da Monoisotopic Mass 308.062 Da Topological Polar Surface Area 52.600 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 213.000 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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