β-クロロ乳酸 - ≥92% , CAS No.1713-85-5

CAS: 1713-85-5 Cat. No.: C133034 分子式: C₃H₅ClO₃ 分子量: 124.52 EC番号: 216-993-0

GRADE & PURITY ≥92%

Synonyms

Propanoic acid, 3-chloro-2-hydroxy- | cis-Retronecic acid ester of retronecine | DL-.BETA.-CHLOROLACTIC ACID | beta-Chlorolactic acid | -Chlorolactic Acid | FT-0690330 | J-010721 | AKOS003349157 | 3-CHLORO-2-HYDROXY PROPANOIC ACID | DTXSID10883745 | 3-Chl

Storage

2～8℃で保存

Shipped In

濡れた氷

Specifications

同義語

Propanoic acid, 3-chloro-2-hydroxy- | cis-Retronecic acid ester of retronecine | DL-.BETA.-CHLOROLACTIC ACID | beta-Chlorolactic acid | -Chlorolactic Acid | FT-0690330 | J-010721 | AKOS003349157 | 3-CHLORO-2-HYDROXY PROPANOIC ACID | DTXSID10883745 | 3-Chl

仕様と純度

≥92%

保管条件

2～8℃で保存

入荷

濡れた氷

純度

≥92%

名前と識別子

• カノニカル・スマイル: C(C(C(=O)O)O)Cl
• IUPAC Name: 3-chloro-2-hydroxypropanoic acid
• InChIKey: OSLCJYYQMKPZHU-UHFFFAOYSA-N
• INCHI: 1S/C3H5ClO3/c4-1-2(5)3(6)7/h2,5H,1H2,(H,6,7)
• 異性体SMILES: C(C(C(=O)O)O)Cl
• WGKドイツ: 3
• 分子量: 124.52
• Reaxy-Rn: 635947
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635947&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Hydroxy acids and derivatives
      • Subclass Alpha hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Hydroxy acids and derivatives
• Subclass: Alpha hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha hydroxy acids and derivatives
• Alternative Parents: Secondary alcohols Chlorohydrins Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-hydroxy acid - Chlorohydrin - Halohydrin - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alcohol - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon.
• External Descriptors: organochlorine compound - 2-hydroxy monocarboxylic acid

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.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 溶解度: Chloroform (Very Slightly), DMSO (Slightly), Methanol (Slightly)
• 分子量: 124.520 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 123.993 Da
• Monoisotopic Mass: 123.993 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 72.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥92% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1713-85-5, the molecular formula is C3H5ClO3, and the molecular weight is 124.52 g/mol. InChIKey OSLCJYYQMKPZHU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.