Cas no 1261660-48-3 (6-Methyl-2-(3-trifluoromethoxyphenyl)benzoic acid)
6-Methyl-2-(3-trifluoromethoxyphenyl)benzoic acid is a fluorinated aromatic compound featuring a benzoic acid core substituted with a methyl group at the 6-position and a 3-(trifluoromethoxy)phenyl moiety at the 2-position. This structure imparts unique physicochemical properties, including enhanced lipophilicity and metabolic stability, making it valuable in pharmaceutical and agrochemical research. The trifluoromethoxy group contributes to electron-withdrawing effects, influencing reactivity and binding affinity. The compound serves as a versatile intermediate in the synthesis of bioactive molecules, particularly in the development of enzyme inhibitors or receptor modulators. Its well-defined structure and purity ensure reproducibility in synthetic applications.
1261660-48-3 structure
Product Name:6-Methyl-2-(3-trifluoromethoxyphenyl)benzoic acid
CAS No:1261660-48-3
MF:C15H11F3O3
MW:296.241255044937
CID:2761299
PubChem ID:53228226
Update Time:2025-05-28
6-Methyl-2-(3-trifluoromethoxyphenyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- DTXSID40691759
- 3-Methyl-3'-(trifluoromethoxy)[1,1'-biphenyl]-2-carboxylic acid
- MFCD18322396
- 6-METHYL-2-(3-TRIFLUOROMETHOXYPHENYL)BENZOIC ACID
- 6-Methyl-2-(3-trifluoromethoxyphenyl)benzoic acid, 95%
- 1261660-48-3
- 6-Methyl-2-(3-trifluoromethoxyphenyl)benzoic acid
-
- Inchi： 1S/C15H11F3O3/c1-9-4-2-7-12(13(9)14(19)20)10-5-3-6-11(8-10)21-15(16,17)18/h2-8H,1H3,(H,19,20)
- InChI Key： WILIKBAXZCNCAH-UHFFFAOYSA-N
- SMILES： FC(OC1=CC=CC(=C1)C1C=CC=C(C)C=1C(=O)O)(F)F
Computed Properties
- Exact Mass: 296.06602869Da
- Monoisotopic Mass: 296.06602869Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 370
- 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: 4.6
- Topological Polar Surface Area: 46.5?2
6-Methyl-2-(3-trifluoromethoxyphenyl)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A011006760-250mg |
3-Methyl-3'-(trifluoromethoxy)biphenyl-2-carboxylic acid |
1261660-48-3 | 97% | 250mg |
$475.20 | 2023-09-03 | |
| Alichem | A011006760-500mg |
3-Methyl-3'-(trifluoromethoxy)biphenyl-2-carboxylic acid |
1261660-48-3 | 97% | 500mg |
$839.45 | 2023-09-03 | |
| Alichem | A011006760-1g |
3-Methyl-3'-(trifluoromethoxy)biphenyl-2-carboxylic acid |
1261660-48-3 | 97% | 1g |
$1490.00 | 2023-09-03 |
6-Methyl-2-(3-trifluoromethoxyphenyl)benzoic acid Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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