Bis(3-fluorophenyl) Disulfide - ≥97% , CAS No.63930-17-6

CAS: 63930-17-6 Cat. No.: B152538 Peso molecular: 254.31 Número EC: 671-388-2

GRADE & PURITY ≥97%

Synonyms

Disulfide, bis(3-fluorophenyl) | AC-16503 | B3044 | DTXSID50372249 | 3,3'-Difluorodiphenyl Disulfide | A8789 | Bis(3-fluorophenyl) disulphide | AKOS015898607 | bis(3-fluorophenyl)disulphide | SCHEMBL577210 | FT-0602606 | 1,2-bis(3-fluorophenyl)disulfane |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Disulfide, bis(3-fluorophenyl) | AC-16503 | B3044 | DTXSID50372249 | 3, 3'-Difluorodiphenyl Disulfide | A8789 | Bis(3-fluorophenyl) disulphide | AKOS015898607 | bis(3-fluorophenyl)disulphide | SCHEMBL577210 | FT-0602606 | 1, 2-bis(3-fluorophenyl)disulfane |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504761397
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761397
• Sonrisas canónicas: C1=CC(=CC(=C1)SSC2=CC=CC(=C2)F)F
• IUPAC Name: 1-fluoro-3-[(3-fluorophenyl)disulfanyl]benzene
• InChIKey: LFVFHTBHAIVNJQ-UHFFFAOYSA-N
• INCHI: 1S/C12H8F2S2/c13-9-3-1-5-11(7-9)15-16-12-6-2-4-10(14)8-12/h1-8H
• Isómeros SMILES: C1=CC(=CC(=C1)SSC2=CC=CC(=C2)F)F
• Peso molecular: 254.31
• Reaxy-Rn: 2530329
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2530329&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Organic disulfides Sulfenyl compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Organic disulfide - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Índice de refracción: 1.62
• Punto de inflamación (°F): 230°F
• Punto de inflamación (°C): >110℃
• Peso molecular: 254.300 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 254.004 Da
• Monoisotopic Mass: 254.004 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 191.000
• 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