Cas no 1104383-68-7 (2-Methyl-6-(trifluoromethyl)benzoic acid)
2-Methyl-6-(trifluoromethyl)benzoic acid is a fluorinated aromatic carboxylic acid with a molecular formula of C9H7F3O2. This compound features a methyl group and a trifluoromethyl group positioned ortho to the carboxylic acid functionality, imparting unique electronic and steric properties. Its trifluoromethyl group enhances lipophilicity and metabolic stability, making it valuable in pharmaceutical and agrochemical applications as an intermediate. The benzoic acid core allows for further derivatization, enabling its use in synthesizing more complex molecules. Its structural characteristics contribute to improved binding affinity and selectivity in drug design. The compound is typically supplied as a white to off-white crystalline solid with high purity, suitable for research and industrial use.
1104383-68-7 structure
Product Name:2-Methyl-6-(trifluoromethyl)benzoic acid
CAS No:1104383-68-7
MF:C9H7F3O2
MW:204.145893335342
MDL:MFCD13185721
CID:1090446
PubChem ID:59273631
Update Time:2025-05-27
2-Methyl-6-(trifluoromethyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 2-Methyl-6-(trifluoromethyl)benzoic acid
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- MDL: MFCD13185721
- Inchi: 1S/C9H7F3O2/c1-5-3-2-4-6(9(10,11)12)7(5)8(13)14/h2-4H,1H3,(H,13,14)
- InChI Key: HNIHCUXXQZGRAU-UHFFFAOYSA-N
- SMILES: FC(C1C=CC=C(C)C=1C(=O)O)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
2-Methyl-6-(trifluoromethyl)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013006357-250mg |
2-Methyl-6-(trifluoromethyl)benzoic acid |
1104383-68-7 | 97% | 250mg |
$494.40 | 2023-09-04 | |
| Alichem | A013006357-500mg |
2-Methyl-6-(trifluoromethyl)benzoic acid |
1104383-68-7 | 97% | 500mg |
$790.55 | 2023-09-04 | |
| Alichem | A013006357-1g |
2-Methyl-6-(trifluoromethyl)benzoic acid |
1104383-68-7 | 97% | 1g |
$1534.70 | 2023-09-04 | |
| TRC | M221243-50mg |
2-Methyl-6-(trifluoromethyl)benzoic Acid |
1104383-68-7 | 50mg |
$ 50.00 | 2022-06-04 | ||
| TRC | M221243-100mg |
2-Methyl-6-(trifluoromethyl)benzoic Acid |
1104383-68-7 | 100mg |
$ 70.00 | 2022-06-04 | ||
| TRC | M221243-500mg |
2-Methyl-6-(trifluoromethyl)benzoic Acid |
1104383-68-7 | 500mg |
$ 295.00 | 2022-06-04 | ||
| abcr | AB452999-1 g |
2-Methyl-6-(trifluoromethyl)benzoic acid, 95%; . |
1104383-68-7 | 95% | 1g |
€503.90 | 2023-04-22 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M855458-100mg |
2-Methyl-6-trifluoromethylbenzoic acid |
1104383-68-7 | 98% | 100mg |
617.00 | 2021-05-17 | |
| Chemenu | CM277674-5g |
2-Methyl-6-(trifluoromethyl)benzoic acid |
1104383-68-7 | 95% | 5g |
$563 | 2023-03-05 | |
| Enamine | EN300-223899-0.05g |
2-methyl-6-(trifluoromethyl)benzoic acid |
1104383-68-7 | 95% | 0.05g |
$69.0 | 2024-06-20 |
2-Methyl-6-(trifluoromethyl)benzoic acid Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
1104383-68-7 (2-Methyl-6-(trifluoromethyl)benzoic acid) Related Products
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