2,2-Bis(4-aminophenyl)hexafluoropropane - ≥98% , CAS No.1095-78-9

CAS: 1095-78-9 Cat. No.: B399480 Molecular Weight: 334.27 EC Number: 600-922-9

GRADE & PURITY ≥98%

Synonyms

1095-78-9|2,2-Bis(4-aminophenyl)hexafluoropropane|4,4'-(Perfluoropropane-2,2-diyl)dianiline|4,4'-(Hexafluoroisopropylidene)dianiline|4-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline|Benzenamine, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

1095-78-9 | 2, 2-Bis(4-aminophenyl)hexafluoropropane | 4, 4'-(Perfluoropropane-2, 2-diyl)dianiline | 4, 4'-(Hexafluoroisopropylidene)dianiline | 4-[2-(4-aminophenyl)-1, 1, 1, 3, 3, 3-hexafluoropropan-2-yl]aniline | Benzenamine, 4, 4'-[2, 2, 2-trifluoro-1-(trifluoromethyl)ethyl

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Product Properties

• pKa: 3.98±0.25(Predicted)

Names and Identifiers

• Pubchem Sid: 504759576
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759576
• Canonical Smiles: C1=CC(=CC=C1C(C2=CC=C(C=C2)N)(C(F)(F)F)C(F)(F)F)N
• IUPAC Name: 4-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline
• InChIKey: BEKFRNOZJSYWKZ-UHFFFAOYSA-N
• INCHI: 1S/C15H12F6N2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8H,22-23H2
• Isomeric SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)N)(C(F)(F)F)C(F)(F)F)N
• WGK Germany: 3
• Molecular Weight: 334.27
• Reaxy-Rn: 2163816
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2163816&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: Diphenylmethanes
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water
• Sensitivity: Air sensitive
• Refractive Index: 1.587
• Flash Point(°C): 198.2ºC
• Boil Point(°C): 351.2±42.0 °C
• Melt Point(°C): 195-198 °C(lit.)
• Molecular Weight: 334.260 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 334.09 Da
• Monoisotopic Mass: 334.09 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 352.000
• 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

References

1. Junhua Li, Zhipeng Xu, Junbin Liao, Edison Huixiang Ang, Xuanhua Chen, Junjie Mu, Jiangnan Shen.  (2024)  Revolutionary MOF-enhanced anion exchange membrane for precise monovalent anion separation through structural optimization and doping.  DESALINATION,      [PMID:] [10.1016/j.desal.2024.117352]

2. Zicheng Fan, Insub Noh, Changlong Zhuang, Qingqing Liu, Yanbin Wang, Hyung Do Kim, Meng Yue, Hideo Ohkita, Biaobing Wang.  (2023)  A polar polyimide as multifunctional flame retardant for epoxy resin through constructing intimate 3D interpenetrating polymer network.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2023.112383]

3. Haiyang Dai, Yang Zhang, Yang Yang, Jing Chen, Chongyang Li, Hao Liu, Wentao Liu, Xin Li, Tingting Zhang, Renzhong Xue, Tao Li.  (2024)  The influence of diamine structure on low dielectric constant and comprehensive properties of fluorinated polyimide films.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2024.113614]

4. Xiao-Lin Wang, Qian-Hao Chen, Qi-Hui Ye, Hao Ye, Yu-Ting Zhao, Jing Yang, Yucong Yu, Ming-Bang Wu, Juming Yao.  (2026)  Fully aromatic fluorinated polyamide nanofiltration membranes formed at gas/liquid interfaces with ultrafast nonpolar organic solvent permeance.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2026.125427]