2-bromo-1-cyclobutylethanone - ≥97% , CAS No.128312-69-6

CAS: 128312-69-6 Cat. No.: B628091 Summenformel: C₆H₉BrO Molekulargewicht: 177.04 EG-Nummer: 831-010-0 PubChem CID: 11062940

GRADE & PURITY ≥97%

Synonyms

PB40207 | Ethanone, 2-bromo-1-cyclobutyl- (9CI) | ODPHLRQTQFMNJQ-UHFFFAOYSA-N | Ethanone,2-bromo-1-cyclobutyl-(9ci) | SY140940 | BS-12978 | EN300-103803 | 2-BROMO-1-CYCLOBUTYLETHANONE | SCHEMBL477153 | bromomethyl cyclobutyl ketone | 2-bromo-1-cyclobutyle

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

PB40207 | Ethanone, 2-bromo-1-cyclobutyl- (9CI) | ODPHLRQTQFMNJQ-UHFFFAOYSA-N | Ethanone,2-bromo-1-cyclobutyl-(9ci) | SY140940 | BS-12978 | EN300-103803 | 2-BROMO-1-CYCLOBUTYLETHANONE | SCHEMBL477153 | bromomethyl cyclobutyl ketone | 2-bromo-1-cyclobutyle

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: C1CC(C1)C(=O)CBr
• IUPAC Name: 2-bromo-1-cyclobutylethanone
• InChIKey: ODPHLRQTQFMNJQ-UHFFFAOYSA-N
• INCHI: 1S/C6H9BrO/c7-4-6(8)5-2-1-3-5/h5H,1-4H2
• Isomere SMILES: C1CC(C1)C(=O)CBr
• Alternative CAS-Nummer: 128312-69-6
• PubChem CID: 11062940
• Molekulargewicht: 177.04

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Alpha-haloketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Alpha-haloketones
• Alternative Parents: Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha-haloketones. These are organic compounds contaning a halogen atom attached to the alpha carbon atom relative to C=O group.
• 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

• Molekulargewicht: 177.040 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 175.984 Da
• Monoisotopic Mass: 175.984 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 96.700
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 128312-69-6, the molecular formula is C6H9BrO, and the molecular weight is 177.04 g/mol. InChIKey ODPHLRQTQFMNJQ-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.