2,3-Dichloropropionic Acid - ≥98% , CAS No.565-64-0

CAS: 565-64-0 Cat. No.: D155444 Molecular Weight: 142.96 Beilstein Registry Number: 1721430 EC Number: 209-285-8

GRADE & PURITY ≥98%

Synonyms

CCRIS 7753 | 3LPU667T6P | UNII-3LPU667T6P | 2,3-Dichloropropanoic acid | BRN 1721427 | 2,3-Dichloropropionic acid, >=97.0% (GC) | NSC 60521 | 4-02-00-00756 (Beilstein Handbook Reference) | NSC60521 | NSC-60521 | MFCD00021695 | DTXSID10870615 | STR03447 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

CCRIS 7753 | 3LPU667T6P | UNII-3LPU667T6P | 2, 3-Dichloropropanoic acid | BRN 1721427 | 2, 3-Dichloropropionic acid, >=97.0% (GC) | NSC 60521 | 4-02-00-00756 (Beilstein Handbook Reference) | NSC60521 | NSC-60521 | MFCD00021695 | DTXSID10870615 | STR03447 |

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(C(C(=O)O)Cl)Cl
• IUPAC Name: 2,3-dichloropropanoic acid
• InChIKey: GKFWNPPZHDYVLI-UHFFFAOYSA-N
• INCHI: 1S/C3H4Cl2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)
• Isomeric SMILES: C(C(C(=O)O)Cl)Cl
• WGK Germany: 3
• RTECS: UF0700000
• Molecular Weight: 142.96
• Beilstein: 1721430
• Reaxy-Rn: 1721427
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721427&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Moisture sensitive.
• Boil Point(°C): 210°C(lit.)
• Melt Point(°C): 48-52 °C
• Molecular Weight: 142.970 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 141.959 Da
• Monoisotopic Mass: 141.959 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 73.300
• 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