Bromoacetyl Chloride - ≥85%(GC) , CAS No.22118-09-8

CAS: 22118-09-8 Cat. No.: B137113 Summenformel: C₂H₂BrClO Molekulargewicht: 157.39 Beilstein Registry Number: 2215 EG-Nummer: 244-790-7

GRADE & PURITY ≥85%(GC)

Synonyms

FT-0623221 | alpha-bromoacetyl chloride | Bromoacetyl chloride, >=95% (GC) | Bromoacetyl chloride | bromo-acetyl chloride | NSC 97376 | MFCD00000724 | NSC97376 | NSC-97376 | 1,3-thiazole-2-thiol | 2-bromoacetyl chloride | 4-Imidazoline-2-thione | bromacet

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

The competitive photodissociation of bromoacetyl chloride has been studied by ab initio methods. 

Product description

Bromoacetyl chloride was used in the synthesis of α,α-disubstituted thioisomünchnones. It was also used in the preparation of 1,3-dibromoacetone.

Specifications

Synonyme

FT-0623221 | alpha-bromoacetyl chloride | Bromoacetyl chloride, >=95% (GC) | Bromoacetyl chloride | bromo-acetyl chloride | NSC 97376 | MFCD00000724 | NSC97376 | NSC-97376 | 1,3-thiazole-2-thiol | 2-bromoacetyl chloride | 4-Imidazoline-2-thione | bromacet

Spezifikationen & Reinheit

≥85%(GC)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥85%(GC)

Namen und Kennungen

• Pubchem Sid: 508814522
• Kanonisches Lächeln: C(C(=O)Cl)Br
• IUPAC Name: 2-bromoacetyl chloride
• InChIKey: SYZRZLUNWVNNNV-UHFFFAOYSA-N
• INCHI: 1S/C2H2BrClO/c3-1-2(4)5/h1H2
• Isomere SMILES: C(C(=O)Cl)Br
• WGK Deutschland: 3
• Molekulargewicht: 157.39
• Beilstein: 2215
• Reaxy-Rn: 1209323
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209323&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 Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organobromide - Carbonyl group - Alkyl halide - Alkyl bromide - 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: Not available

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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: heat sensitive,light sensitive,Hygroscopic
• Brechungsindex: 1.49
• Siedepunkt (°C): 128 °C
• Molekulargewicht: 157.390 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.898 Da
• Monoisotopic Mass: 155.898 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 44.900
• 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