Cloruro de bromoacetilo - ≥85%(GC) , CAS No.22118-09-8

CAS: 22118-09-8 Cat. No.: B137113 Peso molecular: 157.39 Beilstein Registry Number: 2215 Número EC: 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

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Descripción general

El cloruro de bromoacetilo se utilizó en la síntesis de tioisomünchnonas α,α-disustituidas. También se utilizó en la preparación de 1,3-dibromoacetona.

Specifications

Sinónimos

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

Especificaciones y pureza

≥85%(GC)

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥85%(GC)

Nombres e identificadores

• Sonrisas canónicas: C(C(=O)Cl)Br
• IUPAC Name: 2-bromoacetyl chloride
• InChIKey: SYZRZLUNWVNNNV-UHFFFAOYSA-N
• INCHI: 1S/C2H2BrClO/c3-1-2(4)5/h1H2
• Isómeros SMILES: C(C(=O)Cl)Br
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: heat sensitive,light sensitive,Hygroscopic
• Índice de refracción: 1.49
• Punto de ebullición (°C): 128 °C
• Peso molecular: 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

Referencias

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]