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

CAS: 56077-28-2 Cat. No.: B185222 分子式: C₈H₁₃BrO 分子量: 205.09 EC番号: 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

同義語

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

仕様と純度

≥96%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥96%

名前と識別子

パブケム・シド

528757063

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528757063

カノニカル・スマイル

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

異性体SMILES

C1CCC(CC1)C(=O)CBr

分子量

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
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Alpha-haloketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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