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

CAS: 2544-05-0 Cat. No.: C133763 分子式: C₄H₇ClO₃ 分子量: 138.55 Beilstein Registry Number: 3(4)724 EC番号: 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

同義語

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 |

仕様と純度

≥98%(GC)

保管条件

Protected from light,Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 488198622
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488198622
• カノニカル・スマイル: 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)
• 異性体SMILES: COCC(C(=O)O)Cl
• 分子量: 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
    • 分類 Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Light Sensitive
• 屈折率: 1.45
• 沸点（°C）: 155 °C/25 mmHg
• 分子量: 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