Cas no 1171-47-7 (2,2-Bis(4-carboxyphenyl)hexafluoropropane)

2,2-Bis(4-carboxyphenyl)hexafluoropropane is a fluorinated aromatic dicarboxylic acid compound characterized by its high thermal stability, chemical resistance, and low dielectric constant. The hexafluoropropane backbone imparts exceptional hydrophobicity and resistance to harsh environments, making it suitable for advanced polymer applications, particularly in high-performance polyimides and polyesters. The presence of carboxyl functional groups enables its use as a monomer for synthesizing thermally stable, mechanically robust, and chemically inert materials. Its unique structure contributes to enhanced solubility in organic solvents, facilitating processing in coatings, adhesives, and electronic encapsulants. This compound is valued in industries requiring materials with superior thermal and oxidative stability, such as aerospace, microelectronics, and specialty coatings.
2,2-Bis(4-carboxyphenyl)hexafluoropropane structure
1171-47-7 structure
Product Name:2,2-Bis(4-carboxyphenyl)hexafluoropropane
CAS No:1171-47-7
MF:C17H10F6O4
MW:392.249326229095
MDL:MFCD00040931
CID:40955
PubChem ID:87564321
Update Time:2025-05-23

2,2-Bis(4-carboxyphenyl)hexafluoropropane Chemical and Physical Properties

Names and Identifiers

    • 4,4'-(Perfluoropropane-2,2-diyl)dibenzoic acid
    • 2,2-Bis(4-carboxyphenyl)hexafluoropropane
    • 4,4-Hexafluoroisopropylidenebis(benzoic acid)
    • 4,4'-(Hexafluoroisopropylidene)bis(benzoic acid)
    • 4-[2-(4-carboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid
    • Benzoic acid, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-
    • 2,2-Bis[4-carboxyphenyl]hexafluoropropane
    • Benzoic acid, 4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis-
    • 4-[1-(4-carboxyphenyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]benzoic acid
    • C17H10F6O4
    • A
    • MFCD00040931
    • 4,4'-(Hexafluoroisopropylidene)bis(benzoic acid), 98%
    • B1401
    • SCHEMBL336470
    • PS-10988
    • DTXSID1061576
    • FT-0609170
    • AKOS005063971
    • 4,4-(perfluoropropane-2,2-diyl)dibenzoic acid
    • CS-0121108
    • 1171-47-7
    • J-003518
    • D88800
    • YSWG561
    • 4,4'-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis-benzoic acid
    • A803724
    • 4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)dibenzoic acid
    • AE-413/30123002
    • DB-041352
    • 628-620-2
    • FB62709
    • MDL: MFCD00040931
    • Inchi: 1S/C17H10F6O4/c18-16(19,20)15(17(21,22)23,11-5-1-9(2-6-11)13(24)25)12-7-3-10(4-8-12)14(26)27/h1-8H,(H,24,25)(H,26,27)
    • InChI Key: PHQYMDAUTAXXFZ-UHFFFAOYSA-N
    • SMILES: FC(C(C(F)(F)F)(C1C=CC(C(=O)O)=CC=1)C1C=CC(C(=O)O)=CC=1)(F)F
    • BRN: 2022417

Computed Properties

  • Exact Mass: 392.04800
  • Monoisotopic Mass: 392.048328
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 4
  • Complexity: 505
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.9
  • Topological Polar Surface Area: 74.6

Experimental Properties

  • Color/Form: solid
  • Density: 1.505
  • Melting Point: 272-274?°C (lit.)
  • Boiling Point: 424.4°Cat760mmHg
  • Flash Point: 210.5°C
  • Refractive Index: 1.454
  • PSA: 74.60000
  • LogP: 4.49370
  • Solubility: Insoluble

2,2-Bis(4-carboxyphenyl)hexafluoropropane Security Information

2,2-Bis(4-carboxyphenyl)hexafluoropropane Customs Data

  • HS CODE:2917399090
  • Customs Data:

    China Customs Code:

    2917399090

    Overview:

    2917399090 Other aromatic polycarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture

    Summary:

    2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

2,2-Bis(4-carboxyphenyl)hexafluoropropane Pricemore >>

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2,2-Bis(4-carboxyphenyl)hexafluoropropane Suppliers

Amadis Chemical Company Limited
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(CAS:1171-47-7)2,2-Bis(4-carboxyphenyl)hexafluoropropane
Order Number:A803724
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 04:41
Price ($):192.0

2,2-Bis(4-carboxyphenyl)hexafluoropropane Related Literature

Additional information on 2,2-Bis(4-carboxyphenyl)hexafluoropropane

Introduction to 2,2-Bis(4-carboxyphenyl)hexafluoropropane (CAS No. 1171-47-7)

2,2-Bis(4-carboxyphenyl)hexafluoropropane, with the chemical formula C18H8F6O4, is a specialized organic compound that has garnered significant attention in the field of materials science and pharmaceutical chemistry due to its unique structural and functional properties. This compound, identified by its CAS number 1171-47-7, is characterized by a hexafluoropropane core substituted with two 4-carboxyphenyl groups. Its molecular architecture imparts exceptional thermal stability, chemical inertness, and mechanical strength, making it a valuable candidate for various high-performance applications.

The significance of 2,2-Bis(4-carboxyphenyl)hexafluoropropane lies in its versatility as a building block for advanced materials. The presence of fluoro-substituents enhances its resistance to environmental degradation, while the carboxylic acid groups provide functionality for further chemical modifications. These features have positioned the compound as a key intermediate in the synthesis of polymers, coatings, and specialty chemicals that require high thermal and chemical resistance.

In recent years, research has highlighted the potential of 2,2-Bis(4-carboxyphenyl)hexafluoropropane in the development of novel pharmaceuticals. Its rigid aromatic structure and electron-withdrawing fluoro groups make it an attractive scaffold for designing bioactive molecules. For instance, studies have demonstrated its utility in creating ligands for metal-organic frameworks (MOFs), which are increasingly being explored for drug delivery systems and catalytic applications. The compound's ability to form stable complexes with transition metals has opened new avenues in medicinal chemistry.

The pharmaceutical industry has been particularly interested in leveraging the unique properties of CAS No. 1171-47-7 for the development of next-generation therapeutics. Researchers have investigated its potential as a precursor for anticancer agents, where its ability to interact with biological targets through both hydrophobic and electrostatic interactions offers promising opportunities. Additionally, its stability under extreme conditions makes it suitable for formulations that require prolonged shelf life and bioavailability.

From a materials science perspective, 2,2-Bis(4-carboxyphenyl)hexafluoropropane has been employed in the creation of high-performance polymers that exhibit exceptional mechanical strength and thermal stability. These polymers are finding applications in aerospace, automotive, and electronics industries, where resistance to high temperatures and corrosive environments is critical. The compound's fluoro-substituted backbone contributes to its low surface energy, enhancing adhesion properties and wear resistance.

Recent advancements in computational chemistry have further elucidated the structural and electronic properties of 1171-47-7, providing insights into its reactivity and potential applications. Molecular dynamics simulations have revealed that this compound forms stable crystal lattices with high packing efficiency, which is advantageous for material applications. Furthermore, density functional theory (DFT) calculations have identified favorable binding interactions between this molecule and various biological targets, suggesting its potential as a pharmacophore.

The synthesis of 2,2-Bis(4-carboxyphenyl)hexafluoropropane involves multi-step organic reactions that highlight the compound's synthetic utility. The introduction of fluoro groups typically requires specialized fluorination techniques, such as electrochemical fluorination or metal-catalyzed cross-coupling reactions. These synthetic pathways underscore the importance of advanced chemical methodologies in producing complex molecules like this one.

In conclusion, CAS No. 1171-47-7 represents a cornerstone material in modern chemistry with far-reaching implications across multiple industries. Its unique combination of thermal stability, chemical inertness, and functional versatility makes it indispensable for cutting-edge applications in pharmaceuticals, materials science, and beyond. As research continues to uncover new possibilities for this compound, its role as a pivotal chemical entity is set to expand even further.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:1171-47-7)2,2-Bis(4-carboxyphenyl)hexafluoropropane
A803724
Purity:99%
Quantity:25g
Price ($):192.0
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