Pentachlorofluorobenzene - ≥98% , CAS No.319-87-9

CAS: 319-87-9 Cat. No.: P1035396 PubChem CID: 9441

QUALITÉ & PURETÉ ≥98%

Storage

Room temperature

Spécifications

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Pureté

≥98%

Noms et identifiants

Sourires canoniques

C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)F

IUPAC Name

1,2,3,4,5-pentachloro-6-fluorobenzene

InChIKey

HGLRKPSTNKQNIS-UHFFFAOYSA-N

INCHI

1S/C6Cl5F/c7-1-2(8)4(10)6(12)5(11)3(1)9

Isomères SMILES

C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)F

CAS alternatif

319-87-9

PubChem CID

9441

Numéro NSC

146405

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: Fluorobenzenes
• Alternative Parents: Chlorobenzenes Aryl fluorides Aryl chlorides Chlorofluorocarbons Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Chlorobenzene - Aryl halide - Aryl fluoride - Aryl chloride - Chlorofluorocarbon - Hydrocarbon derivative - Organofluoride - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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: 268.300 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 267.84 Da
• Monoisotopic Mass: 265.843 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 150.000
• 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