2-Chlorocyclopentanone - ≥98%, Single impurity

CAS: 694-28-0 Cat. No.: C1539395 Formula: ClC₅H₇(=O) Peso molecolare: 118.56 Beilstein Registry Number: 1098899 Numero EC: 211-769-9

GRADE & PURITY ≥98%, Single impurity<0.5%, contains CaCO3 as stabilizer

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Specifiche e purezza

≥98%, Single impurity<0.5%, contains CaCO3 as stabilizer

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

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

Isomeri SMILES

C1CC(C(=O)C1)Cl

WGK Germania

3

RTECS

GY4900000

Numero UN

2810

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water
• Sensibilità: Moisture & Heat sensitive
• Indice di rifrazione: 1.474
• Punto di infiammabilità (°F): 170.6 °F
• Punto di infiammabilità (°C): 77 °C
• Punto di ebollizione (°C): 72-74°C/12mmHg
• Peso molecolare: 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