Acetyl chloride - 1M in Dichloromethane , CAS No.75-36-5

CAS: 75-36-5 Cat. No.: A140638 Molecular Weight: 78.5 EC Number: 200-865-6

GRADE & PURITY 1M in Dichloromethane

Synonyms

Acetic acid chloride | acetylchlorid | acetyl chlorid | EC 200-865-6 | Ethanoyl chloride | UN1717 (DOT) | Acetic acid, chloride | DB14623 | EINECS 200-865-6 | UNII-QD15RNO45K | Acetyl chloride [UN1717] [Flammable liquid] | ACETYL CHLORIDE [MI] | ETHANOIC

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Overview

Acetyl chloride (AcCl) can be used as:
An acylating reagent to prepare useful key intermediates in organic synthesis.
A reagent to convert oxathioacetals and dithioacetals into corresponding carbonyl compounds in the presence of sodium nitrite.
An activating or acylating reagent in solid-phase organic synthesis.
A reagent to prepare various alkyl and aryl tetrahydropyranyl ethers from corresponding alcohols.

Specifications

Synonyms

Acetic acid chloride | acetylchlorid | acetyl chlorid | EC 200-865-6 | Ethanoyl chloride | UN1717 (DOT) | Acetic acid, chloride | DB14623 | EINECS 200-865-6 | UNII-QD15RNO45K | Acetyl chloride [UN1717] [Flammable liquid] | ACETYL CHLORIDE [MI] | ETHANOIC

Specifications & Purity

1M in Dichloromethane

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Pubchem Sid: 504751075
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751075
• Canonical Smiles: CC(=O)Cl
• IUPAC Name: acetyl chloride
• InChIKey: WETWJCDKMRHUPV-UHFFFAOYSA-N
• INCHI: 1S/C2H3ClO/c1-2(3)4/h1H3
• Isomeric SMILES: CC(=O)Cl
• UN Number: 1717
• Packing Group: II
• Molecular Weight: 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
    • Class Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Refractive Index: 1.39
• Flash Point(°C): (closed cup)4.4°C
• Boil Point(°C): 52°C
• Melt Point(°C): -112°C
• Molecular Weight: 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

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