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

CAS: 75-36-5 Cat. No.: A140638 Formule: C₂H₃ClO Poids moléculaire: 78.5 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

1M in Dichloromethane

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice,FedEx DG Service

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Pubchem Sid

504751075

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751075

Sourires canoniques

CC(=O)Cl

IUPAC Name

acetyl chloride

InChIKey

WETWJCDKMRHUPV-UHFFFAOYSA-N

INCHI

1S/C2H3ClO/c1-2(3)4/h1H3

Isomères SMILES

CC(=O)Cl

Numéro ONU

1717

Groupe d'emballage

II

Poids moléculaire

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
    • Classe Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Indice de réfraction: 1.39
• Point d'éclair (°C): (closed cup)4.4°C
• Point d'ébullition (°C): 52°C
• Point de fusion (°C): -112°C
• Poids moléculaire: 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