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

CAS: 694-28-0 Cat. No.: C598656 Formule: ClC₅H₇(=O) Poids moléculaire: 118.56 Beilstein Registry Number: 1098899 Numéro 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

Synonymes

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-

Spécifications et pureté

≥95%, containing K2CO3 stabilizer

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 508808266
• Sourires canoniques: 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
• Isomères SMILES: C1CC(C(=O)C1)Cl
• WGK Allemagne: 3
• RTECS: GY4900000
• Numéro ONU: 2810
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water
• Sensibilité: Moisture & Heat sensitive
• Indice de réfraction: 1.474
• Point d'éclair (°F): 170.6 °F
• Point d'éclair (°C): 77 °C
• Point d'ébullition (°C): 72-74°C/12mmHg
• Poids moléculaire: 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