Methyl 3-chloro-3-oxopropionate - ≥95% , CAS No.37517-81-0

CAS: 37517-81-0 Cat. No.: M489935 Peso molecular: 136.53 Beilstein Registry Number: 1754078 Número EC: 253-540-6

GRADE & PURITY ≥95%

Synonyms

Methyl malonyl chloride|37517-81-0|methyl 3-chloro-3-oxopropanoate|Methyl 3-chloro-3-oxopropionate|Propanoic acid, 3-chloro-3-oxo-, methyl ester|Methyl chloroformylacetate|UAT3SX9MTD|MFCD00013657|Propanoic acid, 3-chloro-2-oxo-, methyl ester|EINECS 253-54

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Methyl malonyl chloride | 37517-81-0 | methyl 3-chloro-3-oxopropanoate | Methyl 3-chloro-3-oxopropionate | Propanoic acid, 3-chloro-3-oxo-, methyl ester | Methyl chloroformylacetate | UAT3SX9MTD | MFCD00013657 | Propanoic acid, 3-chloro-2-oxo-, methyl ester | EINECS 253-54

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: COC(=O)CC(=O)Cl
• IUPAC Name: methyl 3-chloro-3-oxopropanoate
• InChIKey: UTBCRHAMJFMIIR-UHFFFAOYSA-N
• INCHI: 1S/C4H5ClO3/c1-8-4(7)2-3(5)6/h2H2,1H3
• Isómeros SMILES: COC(=O)CC(=O)Cl
• WGK Alemania: 3
• Número ONU: 3265
• Peso molecular: 136.53
• Beilstein: 1754078
• Reaxy-Rn: 1754078
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1754078&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dicarbonyl compounds
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-dicarbonyl compound - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acyl halide - Acyl chloride - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,3-dicarbonyl compounds. These are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any group.
• 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

Propiedades químicas y físicas

• Solubilidad: Reacts with water.
• Sensibilidad: heat sensitive;Moisture sensitive; light sensitive
• Índice de refracción: 1.431-1.435
• Punto de inflamación (°F): 176 °F
• Punto de inflamación (°C): 80 °C
• Punto de ebullición (°C): 57-59°C
• Peso molecular: 136.530 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 135.993 Da
• Monoisotopic Mass: 135.993 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 110.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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