2-Bromobutyryl Bromide - ≥95%(GC) , CAS No.26074-52-2

CAS: 26074-52-2 Cat. No.: B135808 Peso molecular: 229.9 Beilstein Registry Number: 2(4)834 Número EC: 247-441-7

GRADE & PURITY ≥95%(GC)

Synonyms

Butanoyl bromide, 2-bromo- | MFCD00000154 | .alpha.-Bromobutyryl bromide | BBA07452 | EN300-7582155 | .alpha.-Bromo-n-butyryl bromide | a-bromobutyryl bromide | SY051428 | DTXSID40948952 | 2-Bromobutanoyl bromide # | alpha-bromobutyric acid bromide | D886

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Butanoyl bromide, 2-bromo- | MFCD00000154 | .alpha.-Bromobutyryl bromide | BBA07452 | EN300-7582155 | .alpha.-Bromo-n-butyryl bromide | a-bromobutyryl bromide | SY051428 | DTXSID40948952 | 2-Bromobutanoyl bromide # | alpha-bromobutyric acid bromide | D886

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 504756755
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756755
• Sonrisas canónicas: CCC(C(=O)Br)Br
• IUPAC Name: 2-bromobutanoyl bromide
• InChIKey: HHKDBXNYWNUHPL-UHFFFAOYSA-N
• INCHI: 1S/C4H6Br2O/c1-2-3(5)4(6)7/h3H,2H2,1H3
• Isómeros SMILES: CCC(C(=O)Br)Br
• Peso molecular: 229.9
• Beilstein: 2(4)834
• Reaxy-Rn: 1720955
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720955&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Acyl halides
      • Subclass Acyl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Acyl halides
• Subclass: Acyl bromides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl bromides
• Alternative Parents: Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl bromide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acyl bromides. These are organic compounds containing the functional group -CO-Br.
• 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: Moisture sensitive.
• Índice de refracción: 1.51
• Punto de ebullición (°C): 174 °C
• Peso molecular: 229.900 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 229.876 Da
• Monoisotopic Mass: 227.879 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 72.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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. Dan Li, Jiayu Wu, Shiyuan Yang, Weijie Zhang, Xiaoqin Niu, Yuhong Chen, Fen Ran.  (2018)  Hydrophilicity and anti-fouling performance of polyethersulfone membrane modified by grafting block glycosyl copolymers via surface initiated electrochemically mediated atom transfer radical polymerization.  NEW JOURNAL OF CHEMISTRY,  42  (4): (2692-2701).  [PMID:] [10.1039/C7NJ04161F]

2. Dan Li, Jiayu Wu, Shiyuan Yang, Weijie Zhang, Fen Ran.  (2017)  Hydrophilicity and anti-fouling modification of polyethersulfone membrane by grafting copolymer chains via surface initiated electrochemically mediated atom transfer radical polymerization.  NEW JOURNAL OF CHEMISTRY,  41  (18): (9918-9930).  [PMID:] [10.1039/C7NJ01825H]