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

CAS: 22118-09-8 Cat. No.: B137113 Molecular Weight: 157.39 Beilstein Registry Number: 2215 EC Number: 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

Overview

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

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

Specifications & Purity

≥85%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥85%(GC)

Names and Identifiers

• Canonical Smiles: C(C(=O)Cl)Br
• IUPAC Name: 2-bromoacetyl chloride
• InChIKey: SYZRZLUNWVNNNV-UHFFFAOYSA-N
• INCHI: 1S/C2H2BrClO/c3-1-2(4)5/h1H2
• Isomeric SMILES: C(C(=O)Cl)Br
• WGK Germany: 3
• Molecular Weight: 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
    • 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 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
• 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: 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

Chemical and Physical Properties

• Sensitivity: heat sensitive,light sensitive,Hygroscopic
• Refractive Index: 1.49
• Boil Point(°C): 128 °C
• Molecular Weight: 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

References

1. Lusi Zhang, Zhiyuan Ma, Ruili Wang, Weiwei Zuo, Meifang Zhu.  (2023)  Bis-quaternary ammonium betulin-based dimethacrylate: synthesis, characterization, and application in dental restorative resins.  Materials Advances,  4  (9): (2127-2137).  [PMID:] [10.1039/D3MA00016H]