Cas no 1261969-86-1 (3-(2-Hydroxymethylphenyl)-5-trifluoromethylbenzoic acid)
3-(2-Hydroxymethylphenyl)-5-trifluoromethylbenzoic acid is a specialized aromatic carboxylic acid derivative featuring both a hydroxymethyl and a trifluoromethyl substituent. This compound is of interest in pharmaceutical and agrochemical research due to its unique structural properties, which may enhance binding affinity and metabolic stability in active ingredients. The hydroxymethyl group offers potential for further functionalization, while the electron-withdrawing trifluoromethyl group can influence reactivity and lipophilicity. Its well-defined molecular structure makes it a valuable intermediate in the synthesis of bioactive molecules, particularly in the development of enzyme inhibitors or receptor modulators. The compound is typically handled under controlled conditions due to its reactive functional groups.
1261969-86-1 structure
Product Name:3-(2-Hydroxymethylphenyl)-5-trifluoromethylbenzoic acid
CAS No:1261969-86-1
MF:C15H11F3O3
MW:296.241255044937
MDL:MFCD18319413
CID:2766704
PubChem ID:53225332
Update Time:2025-06-07
3-(2-Hydroxymethylphenyl)-5-trifluoromethylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(2-HYDROXYMETHYLPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID
- 3-(2-Hydroxymethylphenyl)-5-trifluoromethylbenzoic acid, 95%
- 1261969-86-1
- MFCD18319413
- 2'-(Hydroxymethyl)-5-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
- DTXSID30689064
- 3-(2-Hydroxymethylphenyl)-5-trifluoromethylbenzoic acid
-
- MDL： MFCD18319413
- Inchi： 1S/C15H11F3O3/c16-15(17,18)12-6-10(5-11(7-12)14(20)21)13-4-2-1-3-9(13)8-19/h1-7,19H,8H2,(H,20,21)
- InChI Key： IRBIRPWDDPOKSE-UHFFFAOYSA-N
- SMILES： FC(C1=CC(C(=O)O)=CC(=C1)C1C=CC=CC=1CO)(F)F
Computed Properties
- Exact Mass: 296.06602869Da
- Monoisotopic Mass: 296.06602869Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- 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: 3.1
- Topological Polar Surface Area: 57.5?2
3-(2-Hydroxymethylphenyl)-5-trifluoromethylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB326438-5 g |
3-(2-Hydroxymethylphenyl)-5-trifluoromethylbenzoic acid, 95%; . |
1261969-86-1 | 95% | 5g |
€1159.00 | 2023-04-26 | |
| abcr | AB326438-5g |
3-(2-Hydroxymethylphenyl)-5-trifluoromethylbenzoic acid, 95%; . |
1261969-86-1 | 95% | 5g |
€1159.00 | 2025-04-21 |
3-(2-Hydroxymethylphenyl)-5-trifluoromethylbenzoic acid Related Literature
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
1261969-86-1 (3-(2-Hydroxymethylphenyl)-5-trifluoromethylbenzoic acid) Related Products
- 1221722-09-3(2-Methyl-3-(4-trifluoromethylphenyl)benzoic acid)
- 408367-99-7(3'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carboxylic acid)
- 1008773-97-4(3-Methyl-4-(3-trifluoromethylphenyl)benzoic acid)
- 537713-19-2([1,1'-Biphenyl]-2-carboxylic acid, 4-methyl-4'-(trifluoromethyl)-)
- 537716-14-6([1,1'-Biphenyl]-2-carboxylic acid, 3-methyl-4'-(trifluoromethyl)-)
- 273727-19-8(4-Methyl-2-4-(trifluoromethyl)phenylbenzoic acid)
- 1261954-66-8(3-(2,5-Dimethylphenyl)-5-trifluoromethylbenzoic acid)
- 84392-17-6(2-[4-(trifluoromethyl)phenyl]benzoic acid)
- 256397-61-2([1,1'-Biphenyl]-2-carboxylic acid, 6-methyl-4'-(trifluoromethyl)-)
- 1261993-68-3(3-(2,3-Dimethylphenyl)-5-trifluoromethylbenzoic acid)
Recommended suppliers
Essenoi Fine Chemical Co., Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
