2-Chloro-3-methoxypropionic Acid - ≥98%(GC) , CAS No.2544-05-0

CAS: 2544-05-0 Cat. No.: C133763 Molecular Weight: 138.55 Beilstein Registry Number: 3(4)724 EC Number: 638-903-2

GRADE & PURITY ≥98%(GC)

Synonyms

A5129 | SCHEMBL838514 | AC-2410 | Propanoic acid,2-chloro-3-methoxy- | Propanoic acid, 2-chloro-3-methoxy- | 2-Chloro-3-methoxypropionic Acid | AKOS006223973 | BS-43988 | MFCD03093624 | C1688 | AMY11466 | DTXSID70558220 | 2-CHLORO-3-METHOXYPROPIONICACID |

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

A5129 | SCHEMBL838514 | AC-2410 | Propanoic acid, 2-chloro-3-methoxy- | Propanoic acid, 2-chloro-3-methoxy- | 2-Chloro-3-methoxypropionic Acid | AKOS006223973 | BS-43988 | MFCD03093624 | C1688 | AMY11466 | DTXSID70558220 | 2-CHLORO-3-METHOXYPROPIONICACID |

Specifications & Purity

≥98%(GC)

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488198622
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198622
• Canonical Smiles: COCC(C(=O)O)Cl
• IUPAC Name: 2-chloro-3-methoxypropanoic acid
• InChIKey: SSWGTERYCJZJPQ-UHFFFAOYSA-N
• INCHI: 1S/C4H7ClO3/c1-8-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)
• Isomeric SMILES: COCC(C(=O)O)Cl
• Molecular Weight: 138.55
• Beilstein: 3(4)724
• Reaxy-Rn: 1752368
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1752368&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 Dialkyl ethers Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - 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

• Sensitivity: Light Sensitive
• Refractive Index: 1.45
• Boil Point(°C): 155 °C/25 mmHg
• Molecular Weight: 138.550 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 138.008 Da
• Monoisotopic Mass: 138.008 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 83.400
• 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