Cas no 25026-64-6 (3-Chloro-5-fluorobenzoic acid)
3-Chloro-5-fluorobenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-Chloro-5-fluorobenzoic acid
- 3-chloro-5-fluoro-benzoic Acid
- 3-fluoro-5-chlorobenzoic acid
- 5-chloro-3-fluorobenzoic acid
- 3-Chloro-5-fluorobenzoicacid
- PS-8617
- FT-0638488
- 25026-64-6
- AKOS005063919
- Benzoic acid, 3-chloro-5-fluoro-
- QFMRANWPGGSNHS-UHFFFAOYSA-N
- J-512267
- MFCD00973904
- CL8904
- DTXSID20370530
- SY019216
- CS-W017483
- SCHEMBL572200
- A19979
- EN300-102825
- AM20040016
- AC-3931
- AB07872
- Z1203161797
- DB-011409
-
- MDL: MFCD00973904
- Inchi: 1S/C7H4ClFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
- InChI Key: QFMRANWPGGSNHS-UHFFFAOYSA-N
- SMILES: ClC1=CC(=CC(C(=O)O)=C1)F
Computed Properties
- Exact Mass: 173.98800
- Monoisotopic Mass: 173.988
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 163
- 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: nothing
- Topological Polar Surface Area: 37.3A^2
Experimental Properties
- Color/Form: Not determined
- Density: 1.477
- Boiling Point: 275 oC
- Flash Point: 120 oC
- Solubility: Soluble in dimethyl sulfoxide.
- PSA: 37.30000
- LogP: 2.17730
- Solubility: Not determined
3-Chloro-5-fluorobenzoic acid Security Information
- Hazard Statement: Irritant
- Hazard Category Code: 36/37/38-36:37/38
- Safety Instruction: S37/39-S26
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Risk Phrases:R36/37/38
3-Chloro-5-fluorobenzoic 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-Chloro-5-fluorobenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 005181-1g |
3-Chloro-5-fluorobenzoic acid |
25026-64-6 | 97% | 1g |
£10.00 | 2022-02-28 | |
| Fluorochem | 005181-5g |
3-Chloro-5-fluorobenzoic acid |
25026-64-6 | 97% | 5g |
£10.00 | 2022-02-28 | |
| Fluorochem | 005181-10g |
3-Chloro-5-fluorobenzoic acid |
25026-64-6 | 97% | 10g |
£18.00 | 2022-02-28 | |
| Fluorochem | 005181-25g |
3-Chloro-5-fluorobenzoic acid |
25026-64-6 | 97% | 25g |
£36.00 | 2022-02-28 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | W133200-25g |
3-Chloro-5-fluorobenzoic acid |
25026-64-6 | 97% | 25g |
¥704.90 | 2023-08-31 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | W133200-5g |
3-Chloro-5-fluorobenzoic acid |
25026-64-6 | 97% | 5g |
¥176.90 | 2023-08-31 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | W133200-1g |
3-Chloro-5-fluorobenzoic acid |
25026-64-6 | 97% | 1g |
¥44.90 | 2023-08-31 | |
| Chemenu | CM153365-25g |
3-Chloro-5-fluorobenzoic acid |
25026-64-6 | 95%+ | 25g |
$115 | 2024-07-28 | |
| Chemenu | CM153365-100g |
3-Chloro-5-fluorobenzoic acid |
25026-64-6 | 95%+ | 100g |
$369 | 2024-07-28 | |
| Apollo Scientific | PC3809-5g |
3-Chloro-5-fluorobenzoic acid |
25026-64-6 | 5g |
£20.00 | 2025-02-21 |
3-Chloro-5-fluorobenzoic acid Related Literature
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
4. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
Additional information on 3-Chloro-5-fluorobenzoic acid
3-Chloro-5-Fluorobenzoic Acid: A Comprehensive Overview
3-Chloro-5-fluorobenzoic acid, with the CAS number 25026-64-6, is a significant compound in the field of organic chemistry. This compound, also referred to as 3-chloro-5-fluoro-benzoic acid, belongs to the class of aromatic carboxylic acids and is widely recognized for its versatile applications in pharmaceuticals, agrochemicals, and material sciences. The molecule consists of a benzene ring substituted with a chlorine atom at position 3, a fluorine atom at position 5, and a carboxylic acid group at position 1. This unique substitution pattern imparts distinct chemical properties, making it an essential intermediate in various synthetic processes.
The synthesis of 3-chloro-5-fluorobenzoic acid typically involves multi-step reactions, often starting from chlorobenzene derivatives. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly syntheses. For instance, researchers have explored the use of palladium-catalyzed cross-coupling reactions to introduce the fluorine substituent at position 5. These methods not only enhance yield but also reduce the environmental footprint compared to traditional approaches.
In terms of physical properties, 3-chloro-5-fluorobenzoic acid exhibits a melting point of approximately 180°C and is sparingly soluble in water. Its solubility increases significantly in polar solvents such as ethanol and methanol. The presence of electron-withdrawing groups (chlorine and fluorine) on the benzene ring stabilizes the carboxylic acid group, influencing its reactivity in various chemical transformations.
The application of 3-chloro-5-fluorobenzoic acid spans across multiple industries. In the pharmaceutical sector, it serves as a key intermediate in the synthesis of bioactive compounds targeting various diseases. Recent studies have highlighted its role in developing anti-inflammatory agents and potential anticancer drugs. For example, researchers have reported that derivatives of this compound exhibit significant inhibitory activity against COX-2 enzymes, which are associated with inflammatory processes.
In agrochemicals, 3-chloro-5-fluorobenzoic acid is utilized as an intermediate in the production of herbicides and fungicides. Its ability to form stable amide bonds makes it ideal for designing compounds with enhanced bioavailability and efficacy. Moreover, its fluorinated structure contributes to improved resistance against metabolic degradation in plants.
The material science industry has also benefited from this compound's unique properties. It is employed as a precursor in the synthesis of high-performance polymers and advanced materials. Recent research has focused on incorporating this compound into polymeric matrices to enhance thermal stability and mechanical strength.
In conclusion, 3-chloro-5-fluorobenzoic acid stands out as a critical compound with diverse applications across various scientific domains. Its structural features, coupled with recent advancements in synthetic methodologies and application-oriented research, underscore its importance in modern chemistry. As ongoing studies continue to uncover new potentials for this compound, its role in driving innovation across industries is expected to grow further.
25026-64-6 (3-Chloro-5-fluorobenzoic acid) Related Products
- 403-17-8(4-Chloro-3-fluorobenzoic acid)
- 98191-30-1(3,5-Dichloro-4-fluorobenzoic acid)
- 1160573-19-2(4-Chloro-3,5-difluorobenzoic acid)
- 1261929-09-2(3-(3-Chlorophenyl)-5-fluorobenzoic acid)
- 327056-75-7(Methyl 3-chloro-5-fluorobenzoate)
- 844878-86-0([1,1'-Biphenyl]-4-carboxylicacid, 4'-chloro-3'-fluoro-)
- 1214382-85-0(3-chloro-5-(3-fluorophenyl)benzoic Acid)
- 403-16-7(3-Chloro-4-fluorobenzoic acid)
- 150444-95-4(3-Chloro-4,5-difluorobenzoic acid)
- 844878-88-2(4'-Chloro-3'-fluorobiphenyl-3-carboxylic acid)