Pentafluoroanisole - ≥98%(GC) , CAS No.389-40-2

CAS: 389-40-2 Cat. No.: P160659 Peso molecular: 198.09 Número EC: 206-866-8 PubChem CID: 67849

GRADE & PURITY ≥98%(GC)

Synonyms

EINECS 206-866-8 | Pentafluoromethoxybenzene | Benzene, 1,2,3,4,5-pentafluoro-6-methoxy- | AKOS006222495 | 2,4,5,6-Pentafluoroanisole | Anisole,3,4,5,6-pentafluoro- | Anisole, 2,3,4,5,6-pentafluoro- | 6MCA96C92G | PS-10099 | 1,2,3,4,5-Pentafluoro-6-methox

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

EINECS 206-866-8 | Pentafluoromethoxybenzene | Benzene, 1, 2, 3, 4, 5-pentafluoro-6-methoxy- | AKOS006222495 | 2, 4, 5, 6-Pentafluoroanisole | Anisole, 3, 4, 5, 6-pentafluoro- | Anisole, 2, 3, 4, 5, 6-pentafluoro- | 6MCA96C92G | PS-10099 | 1, 2, 3, 4, 5-Pentafluoro-6-methox

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488184022
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184022
• Sonrisas canónicas: COC1=C(C(=C(C(=C1F)F)F)F)F
• IUPAC Name: 1,2,3,4,5-pentafluoro-6-methoxybenzene
• InChIKey: ZRQUIRABLIQJRI-UHFFFAOYSA-N
• INCHI: 1S/C7H3F5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
• Isómeros SMILES: COC1=C(C(=C(C(=C1F)F)F)F)F
• PubChem CID: 67849
• Número ONU: 1993
• Grupo de embalaje: III
• Peso molecular: 198.09
• Reaxy-Rn: 2052664

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Fluorobenzenes Alkyl aryl ethers Aryl fluorides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Ether - Organohalogen compound - Organic oxygen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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: 1.41
• Punto de inflamación (°F): 32°C(lit.)
• Punto de inflamación (°C): 32°C
• Punto de ebullición (°C): 138°C
• Peso molecular: 198.090 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 198.01 Da
• Monoisotopic Mass: 198.01 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 162.000
• 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

Referencias

1. Zhongying Wu, Yiyao Tang, Dewen Sun, Shujiang Zhang, Yixuan Xu, Hua Wei, Chenliang Gong.  (2017)  Multi-sulfonated polyhedral oligosilsesquioxane (POSS) grafted poly(arylene ether sulfone)s for proton conductive membranes.  POLYMER,      [PMID:] [10.1016/j.polymer.2017.07.001]