2-Chlorocyclododecanone - ≥97% , CAS No.35951-28-1

CAS: 35951-28-1 Cat. No.: C153775 Summenformel: C₁₂H₂₁ClO Molekulargewicht: 216.75 EG-Nummer: 679-917-9

GRADE & PURITY ≥97%

Synonyms

2-chloro-cyclododecan-1-one | 2-chlorocyclododecan-1-one | MFCD04117912 | DTXSID80340678 | SY054697 | Cyclododecanone, 2-chloro- | a-chlorocyclododecanone | T70825 | SCHEMBL5163241 | C1650 | 2-Chlorocyclododecanone | 2-Chlorocyclododecanone #

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

2-chloro-cyclododecan-1-one | 2-chlorocyclododecan-1-one | MFCD04117912 | DTXSID80340678 | SY054697 | Cyclododecanone, 2-chloro- | a-chlorocyclododecanone | T70825 | SCHEMBL5163241 | C1650 | 2-Chlorocyclododecanone | 2-Chlorocyclododecanone #

Spezifikationen & Reinheit

≥97%

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

≥97%

Namen und Kennungen

Kanonisches Lächeln

C1CCCCCC(=O)C(CCCC1)Cl

IUPAC Name

2-chlorocyclododecan-1-one

InChIKey

VDNDILHUSVTMNI-UHFFFAOYSA-N

INCHI

1S/C12H21ClO/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11H,1-10H2

Isomere SMILES

C1CCCCCC(=O)C(CCCC1)Cl

Molekulargewicht

216.75

Reaxy-Rn

1865357

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1865357&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 Methanol
• Empfindlichkeit: Air Sensitive,Heat Sensitive
• Molekulargewicht: 216.750 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 216.128 Da
• Monoisotopic Mass: 216.128 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 168.000
• 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