Cas no 1171-47-7 (2,2-Bis(4-carboxyphenyl)hexafluoropropane)
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
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S26-S37/39
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- TSCA:Yes
- Risk Phrases:R36/37/38
- Safety Term:S26;S36
2,2-Bis(4-carboxyphenyl)hexafluoropropane Customs Data
- HS CODE:2917399090
- Customs Data:
China Customs Code:
2917399090Overview:
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 >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B858632-5g |
2,2-Bis(4-Carboxyphenyl)Hexafluoropropane |
1171-47-7 | ≥98% | 5g |
¥568.00 | 2022-09-29 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 367672-5G |
2,2-Bis(4-carboxyphenyl)hexafluoropropane |
1171-47-7 | 5g |
¥615.27 | 2023-12-07 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | WO838-5g |
2,2-Bis(4-carboxyphenyl)hexafluoropropane |
1171-47-7 | 98.0%(GC&T) | 5g |
¥704.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | WO838-1g |
2,2-Bis(4-carboxyphenyl)hexafluoropropane |
1171-47-7 | 98.0%(GC&T) | 1g |
¥242.0 | 2022-05-30 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B858632-1g |
2,2-Bis(4-Carboxyphenyl)Hexafluoropropane |
1171-47-7 | ≥98% | 1g |
¥146.00 | 2022-09-29 | |
| TRC | B591983-50mg |
2,2-Bis(4-carboxyphenyl)hexafluoropropane |
1171-47-7 | 50mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B591983-100mg |
2,2-Bis(4-carboxyphenyl)hexafluoropropane |
1171-47-7 | 100mg |
$ 65.00 | 2022-06-07 | ||
| TRC | B591983-500mg |
2,2-Bis(4-carboxyphenyl)hexafluoropropane |
1171-47-7 | 500mg |
$ 80.00 | 2022-06-07 | ||
| Fluorochem | 009023-5g |
2,2-Bis(4-carboxyphenyl)hexafluoropropane |
1171-47-7 | 98% | 5g |
£75.00 | 2022-03-01 | |
| Fluorochem | 009023-25g |
2,2-Bis(4-carboxyphenyl)hexafluoropropane |
1171-47-7 | 98% | 25g |
£187.00 | 2022-03-01 |
2,2-Bis(4-carboxyphenyl)hexafluoropropane Suppliers
2,2-Bis(4-carboxyphenyl)hexafluoropropane Related Literature
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Abtin Ebadi Amooghin,Hamidreza Sanaeepur,Rafael Luque,Hermenegildo Garcia,Banglin Chen Chem. Soc. Rev. 2022 51 7427
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Pradip Pachfule,Chandan Dey,Tamas Panda,Rahul Banerjee CrystEngComm 2010 12 1600
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Felipe Gándara,Manuela E. Medina,Natalia Snejko,Enrique Gutiérrez-Puebla,Davide M. Proserpio,M. Angeles Monge CrystEngComm 2010 12 711
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Zhi-Qiang Shi,Yi-Zhi Li,Zi-Jian Guo,He-Gen Zheng CrystEngComm 2014 16 900
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Maria C. Bernini,Ana E. Platero-Prats,Natalia Snejko,Enrique Gutiérrez-Puebla,Ana Labrador,Regino Sáez-Puche,Julio Romero de Paz,M. Angeles Monge CrystEngComm 2012 14 5493
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.
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