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

CAS: 694-28-0 Cat. No.: C598656 Summenformel: ClC₅H₇(=O) Molekulargewicht: 118.56 Beilstein Registry Number: 1098899 EG-Nummer: 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

Synonyme

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-

Spezifikationen & Reinheit

≥95%, containing K2CO3 stabilizer

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

≥95%

Namen und Kennungen

• Pubchem Sid: 508808266
• Kanonisches Lächeln: 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
• Isomere SMILES: C1CC(C(=O)C1)Cl
• WGK Deutschland: 3
• RTECS: GY4900000
• UN-Nummer: 2810
• Molekulargewicht: 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
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Alpha-haloketones
            • Ebene7 Alpha-chloroketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water
• Empfindlichkeit: Moisture & Heat sensitive
• Brechungsindex: 1.474
• Flammpunkt (°F): 170.6 °F
• Flammpunkt (°C): 77 °C
• Siedepunkt (°C): 72-74°C/12mmHg
• Molekulargewicht: 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