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

CAS: 26074-52-2 Cat. No.: B135808 Summenformel: C₄H₆Br₂O Molekulargewicht: 229.9 Beilstein Registry Number: 2(4)834 EG-Nummer: 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

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥95%(GC)

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥95%(GC)

Namen und Kennungen

Pubchem Sid

504756755

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756755

Kanonisches Lächeln

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

Isomere SMILES

CCC(C(=O)Br)Br

Molekulargewicht

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
    • Klasse Acyl halides
      • Subclass Acyl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive.
• Brechungsindex: 1.51
• Siedepunkt (°C): 174 °C
• Molekulargewicht: 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 26074-52-2, the molecular formula is C4H6Br2O, and the molecular weight is 229.9 g/mol. InChIKey HHKDBXNYWNUHPL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.