GRADE & PURITY ≥99%, colorless

Synonyms

Acetic acid chloride | Acetic chloride

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Descripción general

Acetyl chloride (acyl chloride) is an acetylation reagent used in esterification and Friedel-Crafts acylation reactions.

Application：
Acetyl chloride can be used as:
· A degradation agent in the degradation of polyoxyethylene glycol monoalkyl ethers to determine the degree of ethoxylation using chromatography-mass spectrometry (MS).
· A reagent with alcohols for the esterification of carboxylic acids, N-boc deprotection, and phosphoramide solvolysis reactions.

Specifications

Sinónimos

Acetic acid chloride | Acetic chloride

Especificaciones y pureza

≥99%, colorless

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice, FedEx DG Service

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

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)Cl
• IUPAC Name: acetyl chloride
• InChIKey: WETWJCDKMRHUPV-UHFFFAOYSA-N
• INCHI: 1S/C2H3ClO/c1-2(3)4/h1H3
• Isómeros SMILES: CC(=O)Cl
• Número ONU: 1717
• Grupo de embalaje: II
• Peso molecular: 78.5
• Reaxy-Rn: 605303
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605303&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Acyl halides
• Subclass: Acyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl chlorides
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
• External Descriptors: acyl chloride

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

• Sensibilidad: Heat and Moisture Sensitive
• Índice de refracción: 1.39
• Punto de inflamación (°C): (closed cup)4.4°C
• Punto de ebullición (°C): 52°C
• Punto de fusión (°C): -112°C
• Peso molecular: 78.500 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 77.9872 Da
• Monoisotopic Mass: 77.9872 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 33.000
• 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

Referencias

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