2-Chlorocyclopentanone - ≥95%, containing K2CO3 stabilizer , CAS No.694-28-0

CAS: 694-28-0 Cat. No.: C598656 Fórmula: ClC₅H₇(=O) Peso molecular: 118.56 Beilstein Registry Number: 1098899 Número CE: 211-769-9

GRADE & PURITY ≥95%, containing K2CO3 stabilizer

Synonyms

2-Chlorocyclopentanone|694-28-0|CYCLOPENTANONE, 2-CHLORO-|2-chlorocyclopentan-1-one|2-Chloro-1-cyclopentanone|alpha-Chlorocyclopentanone|.alpha.-Chlorocyclopentanone|EINECS 211-769-9|MFCD00001410|NSC 60206|BRN 1098899|chlorocyclopentanone|WLN: L5VTJ BG|2-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2-Chlorocyclopentanone | 694-28-0 | CYCLOPENTANONE, 2-CHLORO- | 2-chlorocyclopentan-1-one | 2-Chloro-1-cyclopentanone | alpha-Chlorocyclopentanone | .alpha.-Chlorocyclopentanone | EINECS 211-769-9 | MFCD00001410 | NSC 60206 | BRN 1098899 | chlorocyclopentanone | WLN: L5VTJ BG | 2-

Especificações e pureza

≥95%, containing K2CO3 stabilizer

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

508808266

Sorrisos canónicos

C1CC(C(=O)C1)Cl

IUPAC Name

2-chlorocyclopentan-1-one

InChIKey

AXDZFGRFZOQVBV-UHFFFAOYSA-N

INCHI

1S/C5H7ClO/c6-4-2-1-3-5(4)7/h4H,1-3H2

SMILES isoméricas

C1CC(C(=O)C1)Cl

WGK Alemanha

3

RTECS

GY4900000

Número UN

2810

Peso molecular

118.56

Beilstein

1098899

Reaxy-Rn

1098899

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098899&ln=

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: Cyclic ketones Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Alpha-chloroketone - Cyclic ketone - 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

• Solubilidade: Soluble in water
• Sensibilidade: Moisture & Heat sensitive
• Índice de refração: 1.474
• Ponto de inflamação (°F): 170.6 °F
• Ponto de inflamação (°C): 77 °C
• Ponto de ebulição (°C): 72-74°C/12mmHg
• Peso molecular: 118.560 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 118.019 Da
• Monoisotopic Mass: 118.019 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 90.100
• 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