Cas no 1261950-34-8 (3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid)
3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 3',5'-Difluoro-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid
- 3-(3,5-DIFLUOROPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID
- MFCD18320000
- [1,1'-Biphenyl]-3-carboxylic acid, 3',5'-difluoro-5-(trifluoromethyl)-
- CS-0209326
- 1261950-34-8
- 3',5'-Difluoro-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylicacid
- 3',5'-Difluoro-5-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
- BS-20304
- 3-(3,5-difluorophenyl)-5-(trifluoromethyl)benzoic acid
- DTXSID90689646
- 3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid
-
- MDL： MFCD18320000
- Inchi： 1S/C14H7F5O2/c15-11-4-8(5-12(16)6-11)7-1-9(13(20)21)3-10(2-7)14(17,18)19/h1-6H,(H,20,21)
- InChI Key： CDMSKBIJHRCOGS-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(=O)O)C=C(C=1)C1C=C(C=C(C=1)F)F)(F)F
Computed Properties
- Exact Mass: 302.03700
- Monoisotopic Mass: 302.03662027g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 374
- 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
- XLogP3: 4.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.30000
- LogP: 4.34880
3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid Customs Data
- HS CODE：2916399090
- Customs Data：
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic 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, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019113831-10g |
3',5'-Difluoro-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid |
1261950-34-8 | 95% | 10g |
998.00 USD | 2021-06-17 | |
| Fluorochem | 218514-1g |
3',5'-Difluoro-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid |
1261950-34-8 | 95% | 1g |
￡100.00 | 2022-03-01 | |
| Fluorochem | 218514-5g |
3',5'-Difluoro-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid |
1261950-34-8 | 95% | 5g |
￡300.00 | 2022-03-01 | |
| Fluorochem | 218514-10g |
3',5'-Difluoro-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid |
1261950-34-8 | 95% | 10g |
￡525.00 | 2022-03-01 | |
| TRC | D451233-100mg |
3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid |
1261950-34-8 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | D451233-250mg |
3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid |
1261950-34-8 | 250mg |
$75.00 | 2023-05-18 | ||
| TRC | D451233-500mg |
3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid |
1261950-34-8 | 500mg |
$110.00 | 2023-05-18 | ||
| TRC | D451233-1g |
3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid |
1261950-34-8 | 1g |
$150.00 | 2023-05-18 | ||
| 1PlusChem | 1P000SPP-1g |
[1,1'-Biphenyl]-3-carboxylic acid, 3',5'-difluoro-5-(trifluoromethyl)- |
1261950-34-8 | 98% | 1g |
$81.00 | 2025-02-18 | |
| 1PlusChem | 1P000SPP-5g |
[1,1'-Biphenyl]-3-carboxylic acid, 3',5'-difluoro-5-(trifluoromethyl)- |
1261950-34-8 | 98% | 5g |
$356.00 | 2025-02-18 |
3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
Additional information on 3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid
Comprehensive Overview of 3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid (CAS No. 1261950-34-8)
3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid (CAS No. 1261950-34-8) is a fluorinated aromatic carboxylic acid derivative that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. This compound features a trifluoromethyl group and a difluorophenyl moiety, which enhance its metabolic stability and lipophilicity, making it a valuable intermediate in drug discovery. Researchers are increasingly exploring its potential in designing small-molecule inhibitors and bioactive compounds, particularly in targeting enzymes and receptors associated with inflammatory and metabolic disorders.
The growing interest in fluorinated compounds like 3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid stems from their ability to improve pharmacokinetic profiles. Fluorine atoms, known for their electronegativity, often enhance binding affinity and bioavailability. This aligns with current trends in precision medicine and structure-activity relationship (SAR) studies, where researchers seek to optimize lead compounds for higher efficacy and lower toxicity. The compound’s CAS No. 1261950-34-8 is frequently cited in patents and academic papers, reflecting its relevance in medicinal chemistry.
In addition to pharmaceutical applications, 3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid is explored in material science. Its aromatic and fluorinated structure contributes to the development of advanced polymers and coatings with improved thermal and chemical resistance. This dual utility underscores its versatility, addressing demands in both life sciences and industrial innovation. Questions like "How does fluorination affect drug solubility?" or "What are the synthetic routes for trifluoromethylbenzoic acid derivatives?" are commonly searched, highlighting user curiosity about its practical synthesis and applications.
From a synthetic perspective, the preparation of 3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid often involves cross-coupling reactions or nucleophilic aromatic substitution, techniques widely discussed in organic chemistry forums. Optimizing yield and purity remains a focus, especially for scale-up processes. Environmental considerations also drive interest in green chemistry approaches for fluorinated compounds, aligning with global sustainability goals.
In summary, 3-(3,5-Difluorophenyl)-5-trifluoromethylbenzoic acid (CAS No. 1261950-34-8) represents a critical building block in modern chemistry. Its applications span drug development, agrochemicals, and advanced materials, resonating with trends in personalized therapeutics and eco-friendly innovation. As research progresses, this compound is poised to play a pivotal role in addressing complex challenges across multiple scientific disciplines.
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