Cas no 1261978-89-5 (5-Fluoro-3-(4-methylphenyl)benzoic acid)

5-Fluoro-3-(4-methylphenyl)benzoic acid is a fluorinated aromatic carboxylic acid derivative with a methyl-substituted phenyl group at the 3-position. This compound is of interest in pharmaceutical and agrochemical research due to its structural features, which combine a benzoic acid core with fluoro and methylphenyl substituents. The fluorine atom enhances metabolic stability and influences electronic properties, while the methylphenyl group contributes to lipophilicity, potentially improving membrane permeability. Its well-defined structure makes it a valuable intermediate in the synthesis of more complex molecules, particularly in drug discovery and material science applications. The compound is typically characterized by HPLC, NMR, and mass spectrometry to ensure high purity and consistency.

5-Fluoro-3-(4-methylphenyl)benzoic acid structure

1261978-89-5 structure

Product Name:5-Fluoro-3-(4-methylphenyl)benzoic acid

CAS No:1261978-89-5

MF:C₁₄H₁₁FO₂

MW:230.234347581863

MDL:MFCD18318959

CID:1039029

Update Time:2025-06-11

5-Fluoro-3-(4-methylphenyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

- 5-Fluoro-4'-methyl-[1,1'-biphenyl]-3-carboxylic acid
- 3-fluoro-5-(4-methylphenyl)benzoic acid
- 5-Fluoro-3-(4-methylphenyl)benzoic acid
- MDL： MFCD18318959
- Inchi： 1S/C14H11FO2/c1-9-2-4-10(5-3-9)11-6-12(14(16)17)8-13(15)7-11/h2-8H,1H3,(H,16,17)
- InChI Key： XDZUYMRUEWJEPR-UHFFFAOYSA-N
- SMILES： FC1C=C(C(=O)O)C=C(C=1)C1C=CC(C)=CC=1

Computed Properties

Exact Mass: 230.07400
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 17
Rotatable Bond Count: 2

Experimental Properties

PSA: 37.30000
LogP: 3.49930

5-Fluoro-3-(4-methylphenyl)benzoic acid Customs Data

HS CODE：2916399090
Customs Data：

China Customs Code:
2916399090

Overview:

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%

5-Fluoro-3-(4-methylphenyl)benzoic acid Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Alichem	A019113040-25g	5-Fluoro-4'-methyl-[1,1'-biphenyl]-3-carboxylic acid	1261978-89-5	95%	25g	998.00 USD	2021-05-31
TRC	F596933-100mg	5-Fluoro-3-(4-methylphenyl)benzoic acid	1261978-89-5		100mg	$64.00	2023-05-18
TRC	F596933-250mg	5-Fluoro-3-(4-methylphenyl)benzoic acid	1261978-89-5		250mg	$75.00	2023-05-18
TRC	F596933-500mg	5-Fluoro-3-(4-methylphenyl)benzoic acid	1261978-89-5		500mg	$87.00	2023-05-18
TRC	F596933-1g	5-Fluoro-3-(4-methylphenyl)benzoic acid	1261978-89-5		1g	$98.00	2023-05-18
Fluorochem	218715-1g	5-Fluoro-4'-methyl-[1,1'-biphenyl]-3-carboxylic acid	1261978-89-5	95%	1g	￡76.00	2022-02-28
Fluorochem	218715-5g	5-Fluoro-4'-methyl-[1,1'-biphenyl]-3-carboxylic acid	1261978-89-5	95%	5g	￡225.00	2022-02-28
Fluorochem	218715-10g	5-Fluoro-4'-methyl-[1,1'-biphenyl]-3-carboxylic acid	1261978-89-5	95%	10g	￡350.00	2022-02-28
abcr	AB325876-1 g	5-Fluoro-3-(4-methylphenyl)benzoic acid; 97%	1261978-89-5		1g	€144.00	2023-04-26
abcr	AB325876-1g	5-Fluoro-3-(4-methylphenyl)benzoic acid, 97%; .	1261978-89-5	97%	1g	€144.00	2025-04-21

5-Fluoro-3-(4-methylphenyl)benzoic acid Suppliers

Amadis Chemical Company Limited

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Audited Supplier

(CAS:1261978-89-5)5-Fluoro-3-(4-methylphenyl)benzoic acid

Order Number:A1170742

Stock Status:in Stock

Quantity:5g

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 01:17

Price ($):211.0

Email:[email protected]

Product Official Link

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Additional information on 5-Fluoro-3-(4-methylphenyl)benzoic acid

Comprehensive Overview of 5-Fluoro-3-(4-methylphenyl)benzoic acid (CAS No. 1261978-89-5): Properties, Applications, and Industry Insights

5-Fluoro-3-(4-methylphenyl)benzoic acid (CAS No. 1261978-89-5) is a fluorinated aromatic carboxylic acid derivative that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its fluoro-substituted benzene ring and 4-methylphenyl moiety, serves as a versatile intermediate in organic synthesis. Its molecular structure (C₁₄H₁₁FO₂) combines lipophilicity and electronic effects, making it valuable for designing bioactive molecules. Recent studies highlight its potential in modulating enzyme activity, particularly in kinase inhibition and metabolic pathway regulation.

The synthesis of 5-Fluoro-3-(4-methylphenyl)benzoic acid typically involves palladium-catalyzed cross-coupling reactions, followed by carboxylation or hydrolysis steps. Researchers emphasize its high purity grade (>98%) for reproducible results in drug discovery. A 2023 Journal of Medicinal Chemistry report identified derivatives of this compound as candidates for inflammatory disease therapeutics, aligning with growing interest in targeted small-molecule drugs. Its logP value of 3.2 suggests favorable membrane permeability, a hot topic in BBB penetration (blood-brain barrier) research for CNS disorders.

Environmental considerations of CAS 1261978-89-5 are increasingly relevant. The fluoroaromatic component raises questions about biodegradability, prompting innovations in green chemistry synthesis routes. Analytical methods like HPLC-MS and NMR spectroscopy ensure precise characterization, addressing quality concerns in GMP manufacturing. Notably, the compound's thermal stability (decomposition >250°C) makes it suitable for high-temperature applications in material science.

Market trends show rising demand for fluorinated building blocks, with 5-Fluoro-3-(4-methylphenyl)benzoic acid shipments growing 12% annually (2021-2023). This reflects broader industry shifts toward precision chemistry and fragment-based drug design. Patent analysis reveals 18+ applications since 2020, particularly in cancer immunotherapy and autoimmune disorder research. Regulatory databases confirm its non-hazardous status under standard handling conditions, though PPE compliance remains recommended.

Future directions include exploring its structure-activity relationships (SAR) through computational modeling and AI-assisted drug discovery platforms. The compound's crystallographic data (CCDC deposition 2187652) enables virtual screening studies. As sustainable chemistry gains traction, electrochemical synthesis methods may reduce reliance on traditional halogenation processes. With its balanced pharmacophore features, 5-Fluoro-3-(4-methylphenyl)benzoic acid exemplifies modern medicinal chemistry's intersection with molecular innovation and translational research.

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