2-Bromo-1-cyclohexylethanone - ≥96% , CAS No.56077-28-2

CAS: 56077-28-2 Cat. No.: B185222 Summenformel: C₈H₁₃BrO Molekulargewicht: 205.09 EG-Nummer: 611-350-4

GRADE & PURITY ≥96%

Synonyms

FT-0601963 | SB13399 | MFCD08444491 | A8075 | 2-bromoacetyl cyclohexane | Ethanone, 2-bromo-1-cyclohexyl- | brommethyl-cyclohexylketone | 2-bromo-1-cyclohexylethan-1-one

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

FT-0601963 | SB13399 | MFCD08444491 | A8075 | 2-bromoacetyl cyclohexane | Ethanone, 2-bromo-1-cyclohexyl- | brommethyl-cyclohexylketone | 2-bromo-1-cyclohexylethan-1-one

Spezifikationen & Reinheit

≥96%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 528757063
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528757063
• Kanonisches Lächeln: C1CCC(CC1)C(=O)CBr
• IUPAC Name: 2-bromo-1-cyclohexylethanone
• InChIKey: ADLIDZNESKOPIP-UHFFFAOYSA-N
• INCHI: 1S/C8H13BrO/c9-6-8(10)7-4-2-1-3-5-7/h7H,1-6H2
• Isomere SMILES: C1CCC(CC1)C(=O)CBr
• Molekulargewicht: 205.09
• Reaxy-Rn: 2242834
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2242834&ln=

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: 205.090 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 204.015 Da
• Monoisotopic Mass: 204.015 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 116.000
• 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