2-chloro-1-cyclobutylethan-1-one - ≥97% , CAS No.54195-75-4

CAS: 54195-75-4 Cat. No.: C638292 Fórmula: C₆H₉ClO Peso molecular: 132.59 Número CE: 828-498-2 PubChem CID: 45080714

GRADE & PURITY ≥97%

Synonyms

2-chloro-1-cyclobutylethan-1-one | AKOS017504555 | EN300-180284 | Z1238572148 | PS-17975 | Ethanone, 2-chloro-1-cyclobutyl- (9CI) | 2-CHLORO-1-CYCLOBUTYLETHANONE | 3-(2-chloro-1-oxoethyl) cyclobutane | P19145 | MFCD18970965

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-chloro-1-cyclobutylethan-1-one | AKOS017504555 | EN300-180284 | Z1238572148 | PS-17975 | Ethanone, 2-chloro-1-cyclobutyl- (9CI) | 2-CHLORO-1-CYCLOBUTYLETHANONE | 3-(2-chloro-1-oxoethyl) cyclobutane | P19145 | MFCD18970965

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: C1CC(C1)C(=O)CCl
• IUPAC Name: 2-chloro-1-cyclobutylethanone
• InChIKey: KLQMFXYLBYWLCX-UHFFFAOYSA-N
• INCHI: 1S/C6H9ClO/c7-4-6(8)5-2-1-3-5/h5H,1-4H2
• SMILES isoméricas: C1CC(C1)C(=O)CCl
• CAS alternativo: 54195-75-4
• PubChem CID: 45080714
• Peso molecular: 132.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Alpha-haloketones
            • Level7 Alpha-chloroketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Alpha-haloketones
• Direct Parent: Alpha-chloroketones
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Alpha-chloroketone - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha-chloroketones. These are organic compounds contaning a chlorine 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

Propriedades químicas e físicas

• Peso molecular: 132.590 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 132.034 Da
• Monoisotopic Mass: 132.034 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

Perguntas frequentes

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 54195-75-4, the molecular formula is C6H9ClO, and the molecular weight is 132.59 g/mol. InChIKey KLQMFXYLBYWLCX-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.