2-(4-Chlorophenyl)-1,3-dioxolane - ≥99% , CAS No.2403-54-5

CAS: 2403-54-5 Cat. No.: D697309 Formule: C₉H₉ClO₂ Poids moléculaire: 184.62 Numéro CE: 607-307-4 PubChem CID: 305775

GRADE & PURITY ≥99%

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥99%

Propriétés du produit

• ALogP: 2

Noms et identifiants

• Sourires canoniques: C1COC(O1)C2=CC=C(C=C2)Cl
• IUPAC Name: 2-(4-chlorophenyl)-1,3-dioxolane
• InChIKey: NYXNQWTXUSTEGL-UHFFFAOYSA-N
• INCHI: 1S/C9H9ClO2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9H,5-6H2
• Isomères SMILES: C1COC(O1)C2=CC=C(C=C2)Cl
• PubChem CID: 305775
• Poids moléculaire: 184.62

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides 1,3-dioxolanes Oxacyclic compounds Acetals Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

• Poids moléculaire: 184.620 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 184.029 Da
• Monoisotopic Mass: 184.029 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 137.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1