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Methyl (S)-4-chloro-3-hydroxybutyrate - ≥96%, high purity , CAS No.86728-93-0

COA

Grade & Purity:

≥96%

Cas Number: 86728-93-0
Molecular Weight: 152.57
PubChem CID: 1512674

In stock

Item Number

M699551

Grouped product items
SKU	Size	Availability	Price	Qty
M699551-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$874.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Hydroxy acids and derivatives
    - Subclass Beta hydroxy acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Hydroxy acids and derivatives
Subclass	Beta hydroxy acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Beta hydroxy acids and derivatives
Alternative Parents	Fatty acid methyl esters Methyl esters Secondary alcohols Chlorohydrins Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Beta-hydroxy acid - Fatty acid methyl ester - Fatty acid ester - Fatty acyl - Methyl ester - Carboxylic acid ester - Chlorohydrin - Secondary alcohol - Halohydrin - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl chloride - Organohalogen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	methyl (3S)-4-chloro-3-hydroxybutanoate
INCHI	InChI=1S/C5H9ClO3/c1-9-5(8)2-4(7)3-6/h4,7H,2-3H2,1H3/t4-/m0/s1
InChIKey	WMRINGSAVOPXTE-BYPYZUCNSA-N
Smiles	COC(=O)CC(CCl)O
Isomeric SMILES	COC(=O)C[C@@H](CCl)O
Molecular Weight	152.57
Reaxy-Rn	1753580
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1753580&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	152.570 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	152.024 Da
Monoisotopic Mass	152.024 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.200
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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