Cas no 1261916-36-2 (3-(4-Ethoxycarbonylphenyl)-5-trifluoromethylbenzoic acid)
3-(4-Ethoxycarbonylphenyl)-5-trifluoromethylbenzoic acid is a fluorinated aromatic carboxylic acid derivative featuring both an ethoxycarbonyl group and a trifluoromethyl substituent. The compound exhibits unique physicochemical properties due to the electron-withdrawing effects of the trifluoromethyl group, enhancing its stability and reactivity in synthetic applications. The ethoxycarbonyl moiety provides versatility for further functionalization, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its structural features contribute to improved metabolic stability and bioavailability in drug design. The compound's high purity and well-defined molecular structure ensure reproducibility in research and industrial applications. Its compatibility with various coupling reactions enables efficient incorporation into complex molecular architectures.
1261916-36-2 structure
Product Name:3-(4-Ethoxycarbonylphenyl)-5-trifluoromethylbenzoic acid
CAS No:1261916-36-2
MF:C17H13F3O4
MW:338.277935743332
MDL:MFCD18322058
CID:2763255
PubChem ID:53227888
Update Time:2025-07-02
3-(4-Ethoxycarbonylphenyl)-5-trifluoromethylbenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 3-(4-Ethoxycarbonylphenyl)-5-trifluoromethylbenzoic acid, 95%
- 4'-(Ethoxycarbonyl)-5-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
- 1261916-36-2
- MFCD18322058
- DTXSID90691421
- 3-(4-ETHOXYCARBONYLPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID
- 3-(4-Ethoxycarbonylphenyl)-5-trifluoromethylbenzoic acid
-
- MDL： MFCD18322058
- Inchi： 1S/C17H13F3O4/c1-2-24-16(23)11-5-3-10(4-6-11)12-7-13(15(21)22)9-14(8-12)17(18,19)20/h3-9H,2H2,1H3,(H,21,22)
- InChI Key： AAHDJHNKWSFUIW-UHFFFAOYSA-N
- SMILES： FC(C1=CC(C(=O)O)=CC(=C1)C1C=CC(C(=O)OCC)=CC=1)(F)F
Computed Properties
- Exact Mass: 338.07659338Da
- Monoisotopic Mass: 338.07659338Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 455
- 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: 63.6?2
3-(4-Ethoxycarbonylphenyl)-5-trifluoromethylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB329333-5g |
3-(4-Ethoxycarbonylphenyl)-5-trifluoromethylbenzoic acid, 95%; . |
1261916-36-2 | 95% | 5g |
€1159.00 | 2025-02-27 | |
| abcr | AB329333-5 g |
3-(4-Ethoxycarbonylphenyl)-5-trifluoromethylbenzoic acid, 95%; . |
1261916-36-2 | 95% | 5g |
€1159.00 | 2023-04-26 |
3-(4-Ethoxycarbonylphenyl)-5-trifluoromethylbenzoic acid Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
1261916-36-2 (3-(4-Ethoxycarbonylphenyl)-5-trifluoromethylbenzoic acid) Related Products
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- 127783-73-7(Methyl 4'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylate)
- 1261894-91-0(3-(3-Methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid)
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- 583-02-8(Ethyl 4-(trifluoromethyl)benzoate)
- 647842-34-0(1,1'-Biphenyl-4-carboxylic acid,4'-(trifluoromethyl)-,ethyl ester)
- 31083-14-4(Aceticacid, 2,2,2-trifluoro-, 4-ethylphenyl ester)
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