Dichloroacetyl chloride - ≥98% , CAS No.79-36-7

CAS: 79-36-7 Cat. No.: D106078 Summenformel: C₂HCl₃O Molekulargewicht: 147.39 Beilstein Registry Number: 1209426 EG-Nummer: 201-199-9

GRADE & PURITY ≥98%

Synonyms

UNII-52O60099FY | Dichloroethanoyl chloride | EINECS 201-199-9 | EN300-20015 | BRN 1209426 | UN 1765 | Dichloracetyl chloride | Epitope ID:137344 | .alpha.,.alpha.-Dichloroacetyl chloride | Dichloroacetyl chloride [UN1765] [Corrosive] | DTXCID004965 | CH

Storage

Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

Specifications

Synonyme

UNII-52O60099FY | Dichloroethanoyl chloride | EINECS 201-199-9 | EN300-20015 | BRN 1209426 | UN 1765 | Dichloracetyl chloride | Epitope ID:137344 | .alpha.,.alpha.-Dichloroacetyl chloride | Dichloroacetyl chloride [UN1765] [Corrosive] | DTXCID004965 | CH

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged,Desiccated

Verschickt in

FedEx DG Service

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508812168

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812168

Kanonisches Lächeln

C(C(=O)Cl)(Cl)Cl

IUPAC Name

2,2-dichloroacetyl chloride

InChIKey

FBCCMZVIWNDFMO-UHFFFAOYSA-N

INCHI

1S/C2HCl3O/c3-1(4)2(5)6/h1H

Isomere SMILES

C(C(=O)Cl)(Cl)Cl

WGK Deutschland

2

RTECS

AO6650000

UN-Nummer

1765

Verpackungsgruppe

II

Molekulargewicht

147.39

Beilstein

1209426

Reaxy-Rn

1209426

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209426&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Acyl halides
• Subclass: Acyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl chlorides
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Ether
• Empfindlichkeit: Moisture sensitive
• Brechungsindex: 1.4591
• Siedepunkt (°C): 107-108°C
• Molekulargewicht: 147.380 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 145.909 Da
• Monoisotopic Mass: 145.909 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 59.800
• 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: 1