Decafluorobiphenyl - analytical standard , CAS No.434-90-2

CAS: 434-90-2 Cat. No.: D120050 Formule: C₁₂F₁₀ Poids moléculaire: 334.11 Beilstein Registry Number: 1916978 Numéro CE: 207-107-3

GRADE & PURITY Analytical standard

Synonyms

Biphenyl, decafluoro- | FS-3868 | 1,1'-Biphenyl, 2,2',3,3',4,4',5,5',6,6'-decafluoro- | Perfluorodiphenyl | MFCD00000292 | 1,1'-Biphenyl,decafluoro- | EINECS 207-107-3 | AM82983 | NSC97070 | NSC-97070 | Decafluorobiphenyl 2000 microg/mL in Methyl-tert-but

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Biphenyl, decafluoro- | FS-3868 | 1,1'-Biphenyl, 2,2',3,3',4,4',5,5',6,6'-decafluoro- | Perfluorodiphenyl | MFCD00000292 | 1,1'-Biphenyl,decafluoro- | EINECS 207-107-3 | AM82983 | NSC97070 | NSC-97070 | Decafluorobiphenyl 2000 microg/mL in Methyl-tert-but

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Analytical standard

Noms et identifiants

Pubchem Sid

508812595

Sourires canoniques

C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F

IUPAC Name

1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene

InChIKey

ONUFSRWQCKNVSL-UHFFFAOYSA-N

INCHI

1S/C12F10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16

Isomères SMILES

C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F

WGK Allemagne

3

Poids moléculaire

334.11

Beilstein

1916978

Reaxy-Rn

1916978

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1916978&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Fluorobenzenes Aryl fluorides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

• Point d'ébullition (°C): 206°C
• Point de fusion (°C): 66-70°C
• Poids moléculaire: 334.110 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 1
• Exact Mass: 333.984 Da
• Monoisotopic Mass: 333.984 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 326.000
• 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