2,2-Bis(3-amino-4-hydroxyphenyl) -hexafluoropropane (6FAP) - ≥99.5% , CAS No.83558-87-6

CAS: 83558-87-6 Cat. No.: B1507098 Molecular Weight: 366.26 EC Number: 617-475-0

GRADE & PURITY ≥99.5%

Storage

Room temperature

Specifications

Specifications & Purity

≥99.5%

Storage

Room temperature

Purity

≥99.5%

Names and Identifiers

• Canonical Smiles: NC1=C(O)C=CC(=C1)C(C1=CC(N)=C(O)C=C1)(C(F)(F)F)C(F)(F)F
• IUPAC Name: 4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)bis(2-aminophenol)
• InChIKey: MSTZGVRUOMBULC-UHFFFAOYSA-N
• INCHI: InChI=1S/C15H12F6N2O2/c16-14(17,18)13(15(19,20)21,7-1-3-11(24)9(22)5-7)8-2-4-12(25)10(23)6-8/h1-6,24-25H,22-23H2
• Isomeric SMILES: C1=CC(=C(C=C1C(C2=CC(=C(C=C2)O)N)(C(F)(F)F)C(F)(F)F)N)O
• WGK Germany: 3
• Molecular Weight: 366.26
• Reaxy-Rn: 5831018
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5831018&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bisphenols
• Alternative Parents: o-Aminophenols Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Primary amines Organopnictogen compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bisphenol - Aminophenol - O-aminophenol - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl fluoride - Hydrocarbon derivative - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bisphenols. These are methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone).
• 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

Chemical and Physical Properties

• Melt Point(°C): 245-248°C

References

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