Methyl 2-chloroacetimidate hydrochloride , CAS No.70737-12-1

CAS: 70737-12-1 Cat. No.: M487246 Peso molecular: 144 Número EC: 804-143-7 PubChem CID: 12680765

Synonyms

Methyl 2-chloroacetimidate hydrochloride | Methyl 2-chloroethanimidate--hydrogen chloride (1/1) | MFCD16621446 | Methyl2-chloroacetimidatehydrochloride | DTXSID50506709 | E73793 | methyl 2-chloroethanimidate;hydrochloride | ZPKRTCMWHONHLA-UHFFFAOYSA-N | F

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Description

Reactant for:Modular synthesis of chiral homo- and heterotrisoxazolines as chiral ligands in the asymmetrical Michael addition of indole to benzylidenemalonatePreparation of benzothiazolylthio oxadiazoles

Specifications

Sinónimos

Methyl 2-chloroacetimidate hydrochloride | Methyl 2-chloroethanimidate--hydrogen chloride (1/1) | MFCD16621446 | Methyl2-chloroacetimidatehydrochloride | DTXSID50506709 | E73793 | methyl 2-chloroethanimidate;hydrochloride | ZPKRTCMWHONHLA-UHFFFAOYSA-N | F

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Nombres e identificadores

• Sonrisas canónicas: COC(=N)CCl.Cl
• IUPAC Name: methyl 2-chloroethanimidate;hydrochloride
• InChIKey: ZPKRTCMWHONHLA-UHFFFAOYSA-N
• INCHI: 1S/C3H6ClNO.ClH/c1-6-3(5)2-4;/h5H,2H2,1H3;1H
• Isómeros SMILES: COC(=N)CCl.Cl
• WGK Alemania: 3
• PubChem CID: 12680765
• Peso molecular: 144

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboximidic acids and derivatives
      • Subclass Imidoesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboximidic acids and derivatives
• Subclass: Imidoesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidoesters
• Alternative Parents: Organooxygen compounds Organonitrogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Imido ester - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidoesters. These are organic ester derivatives of imidic acid. They have the general structure ROC(CR')=NR\", where R=organyl group, R'-R\"= H or organyl 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

• Peso molecular: 144.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 142.99 Da
• Monoisotopic Mass: 142.99 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.800
• 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: 2

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