Cas no 1261972-04-6 (3-(3-Fluoro-4-methylphenyl)-5-trifluoromethylbenzoic acid)
3-(3-Fluoro-4-methylphenyl)-5-trifluoromethylbenzoic acid is a fluorinated aromatic carboxylic acid derivative with potential applications in pharmaceutical and agrochemical research. Its structure, featuring both a trifluoromethyl group and a fluoro-methylphenyl moiety, enhances its electronic and steric properties, making it a valuable intermediate in the synthesis of bioactive compounds. The presence of fluorine atoms improves metabolic stability and lipophilicity, which can be advantageous in drug design. This compound is particularly useful in the development of enzyme inhibitors and receptor modulators due to its ability to influence binding interactions. High purity and well-defined structural characteristics ensure reproducibility in research applications.
1261972-04-6 structure
Product Name:3-(3-Fluoro-4-methylphenyl)-5-trifluoromethylbenzoic acid
CAS No:1261972-04-6
MF:C15H10F4O2
MW:298.232318401337
MDL:MFCD18319651
CID:1039022
Update Time:2025-06-07
3-(3-Fluoro-4-methylphenyl)-5-trifluoromethylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3'-Fluoro-4'-methyl-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid
- 3-(3-FLUORO-4-METHYLPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID
- 3-(3-Fluoro-4-methylphenyl)-5-trifluoromethylbenzoic acid
-
- MDL： MFCD18319651
- Inchi： 1S/C15H10F4O2/c1-8-2-3-9(7-13(8)16)10-4-11(14(20)21)6-12(5-10)15(17,18)19/h2-7H,1H3,(H,20,21)
- InChI Key： GKYADOUZTBGAPJ-UHFFFAOYSA-N
- SMILES： FC1=C(C)C=CC(=C1)C1=CC(C(=O)O)=CC(C(F)(F)F)=C1
Computed Properties
- Exact Mass: 298.06200
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
Experimental Properties
- PSA: 37.30000
- LogP: 4.51810
3-(3-Fluoro-4-methylphenyl)-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-Fluoro-4-methylphenyl)-5-trifluoromethylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 218722-1g |
3'-Fluoro-4'-methyl-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid |
1261972-04-6 | 95% | 1g |
￡150.00 | 2021-06-29 | |
| Fluorochem | 218722-5g |
3'-Fluoro-4'-methyl-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid |
1261972-04-6 | 95% | 5g |
￡450.00 | 2021-06-29 | |
| Fluorochem | 218722-10g |
3'-Fluoro-4'-methyl-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid |
1261972-04-6 | 95% | 10g |
￡750.00 | 2021-06-29 | |
| TRC | F596938-100mg |
3-(3-Fluoro-4-methylphenyl)-5-trifluoromethylbenzoic acid |
1261972-04-6 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | F596938-250mg |
3-(3-Fluoro-4-methylphenyl)-5-trifluoromethylbenzoic acid |
1261972-04-6 | 250mg |
$98.00 | 2023-05-18 | ||
| TRC | F596938-500mg |
3-(3-Fluoro-4-methylphenyl)-5-trifluoromethylbenzoic acid |
1261972-04-6 | 500mg |
$150.00 | 2023-05-18 | ||
| TRC | F596938-1g |
3-(3-Fluoro-4-methylphenyl)-5-trifluoromethylbenzoic acid |
1261972-04-6 | 1g |
$207.00 | 2023-05-18 | ||
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | F180910-1g |
3-(3-Fluoro-4-methylphenyl)-5-trifluoromethylbenzoic acid |
1261972-04-6 | 98% | 1g |
￥1380.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | F180910-5g |
3-(3-Fluoro-4-methylphenyl)-5-trifluoromethylbenzoic acid |
1261972-04-6 | 98% | 5g |
￥2747.90 | 2023-09-02 | |
| Alichem | A019108213-5g |
3'-Fluoro-4'-methyl-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid |
1261972-04-6 | 95% | 5g |
400.00 USD | 2021-06-17 |
3-(3-Fluoro-4-methylphenyl)-5-trifluoromethylbenzoic acid Related Literature
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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