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· · COA & SDS available for every product · Same-day shipping on in-stock items (S)-2-Chloro-4-methylvaleric Acid - ≥97%(T) , CAS No.28659-81-6
Synonyms
AKOS015848435 | C1371 | A5414 | (S)-2-Chloro-4-methylpentanoic Acid | (S)-2-Chloro-4-methyl-pentanoic acid | (2s)-2-Chloro-4-Methylpentanoic Acid | (S)-alpha-chloroisocaproate | J-017183 | Q27449814 | (S)-2-Chloro-4-methyl-N-valericacid | Pentanoic acid,
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Why this grade ≥97%(T) 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
AKOS015848435 | C1371 | A5414 | (S)-2-Chloro-4-methylpentanoic Acid | (S)-2-Chloro-4-methyl-pentanoic acid | (2s)-2-Chloro-4-Methylpentanoic Acid | (S)-alpha-chloroisocaproate | J-017183 | Q27449814 | (S)-2-Chloro-4-methyl-N-valericacid | Pentanoic acid,
Specifications & Purity
≥97%(T)
Names and Identifiers Pubchem Sid 488198237 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488198237 Canonical Smiles CC(C)CC(C(=O)O)Cl IUPAC Name (2S)-2-chloro-4-methylpentanoic acid InChIKey CBQBIPRPIHIKPW-YFKPBYRVSA-N INCHI 1S/C6H11ClO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t5-/m0/s1 Isomeric SMILES CC(C)C[C@@H](C(=O)O)Cl PubChem CID 12732683 Molecular Weight 150.6 Reaxy-Rn 1721736
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 acids and conjugates Intermediate Tree Nodes Not available Direct Parent Halogenated fatty acids Alternative Parents Methyl-branched fatty acids Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Molecular Framework Aliphatic acyclic compounds Substituents Branched fatty acid - Halogenated fatty acid - Methyl-branched fatty acid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl chloride - Alkyl halide - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as halogenated fatty acids. These are fatty acids with a chain that carries a halogen atom (Cl,F,I,Br). 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 1.44 Specific Rotation[α] -34° (neat) Flash Point(°C) 92 °C Boil Point(°C) 126°C/30mmHg(lit.) Molecular Weight 150.600 g/mol XLogP3 2.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 150.045 Da Monoisotopic Mass 150.045 Da Topological Polar Surface Area 37.300 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 101.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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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