α-Bromoisobutyryl bromide - ≥98% , CAS No.20769-85-1

CAS: 20769-85-1 Cat. No.: B106971 Fórmula: C₄H₆Br₂O Peso molecular: 229.9 Beilstein Registry Number: 1746128 Número CE: 244-017-3

GRADE & PURITY ≥98%

Synonyms

BIBB | 2-Bromoisobutyryl bromide | 2-Bromoisobutyrylbromide | 2-Bromo-2-methylpropionyl bromide | 2-Bromo-2-methyl-propionyl bromide | 2-Bromo-2-methylpropanoyl bromide | alpha-Bromoisobutyryl bromide

Storage

Room temperature,Argon charged

Shipped In

Normal

Visão geral

BIBB is an important reagent in the synthesis of amides, macrocyclic amides, ketenes, and alkynic ketones.

Application：
α-Bromoisobutyryl bromide has been used:
as atom transfer radical polymerization (ATRP) initiator for functionalization of hydroxyl groups present on the surface of graphene oxide.
to form an N-protected halodienamide which provided four- and five-membered lactams in the presence of copper (I) and a tertiary amine.
in preparation of polycaprolactone macroinitiator via reaction with oligomeric caprolactone diol and mesoporous silica nanoparticles with ATRP initiator anchored on the exterior surface.

Specifications

Sinónimos

BIBB | 2-Bromoisobutyryl bromide | 2-Bromoisobutyrylbromide | 2-Bromo-2-methylpropionyl bromide | 2-Bromo-2-methyl-propionyl bromide | 2-Bromo-2-methylpropanoyl bromide | alpha-Bromoisobutyryl bromide

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508808380

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808380

Sorrisos canónicos

CC(C)(C(=O)Br)Br

IUPAC Name

2-bromo-2-methylpropanoyl bromide

InChIKey

YOCIJWAHRAJQFT-UHFFFAOYSA-N

INCHI

1S/C4H6Br2O/c1-4(2,6)3(5)7/h1-2H3

SMILES isoméricas

CC(C)(C(=O)Br)Br

WGK Alemanha

3

Número UN

3265

Peso molecular

229.9

Beilstein

1746128

Reaxy-Rn

1746128

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1746128&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Miscible with acetone and carbon disulfide.
• Sensibilidade: Moisture sensitive.Light sensitive.
• Índice de refração: 1.508
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 162-164°C
• Peso molecular: 229.900 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• 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: 87.700
• 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