Acetyl chloride - ≥99%, colorless , CAS No.75-36-5

CAS: 75-36-5 Cat. No.: A108664 Formula: C₂H₃ClO Molecular Weight: 78.5 EC Number: 200-865-6

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

Overview

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

Synonyms

Acetic acid chloride | Acetic chloride

Specifications & Purity

≥99%, colorless

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.

Purity

≥99%

Names and Identifiers

Pubchem Sid

508811875

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: Heat and Moisture Sensitive
• x_refractive_index: 1.39
• x_flash_point_drop_centigrade: (closed cup)4.4°C
• x_boil_point_char: 52°C
• x_melt_point_char: -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