Cas no 1805451-00-6 (4-Amino-5-bromo-2-(trifluoromethyl)benzyl alcohol)
4-Amino-5-bromo-2-(trifluoromethyl)benzyl alcohol is a versatile brominated and trifluoromethyl-substituted benzyl alcohol derivative, primarily employed as a key intermediate in pharmaceutical and agrochemical synthesis. Its distinct molecular structure, featuring an amino group, bromine substituent, and trifluoromethyl group, enhances reactivity and selectivity in cross-coupling reactions and other transformations. The compound’s trifluoromethyl group contributes to improved metabolic stability and lipophilicity in target molecules. High purity and consistent quality make it suitable for research and industrial applications, particularly in the development of bioactive compounds. Proper handling under controlled conditions is recommended due to its reactive functional groups.
1805451-00-6 structure
Product Name:4-Amino-5-bromo-2-(trifluoromethyl)benzyl alcohol
CAS No:1805451-00-6
MF:C8H7BrF3NO
MW:270.046491861343
CID:4963710
Update Time:2025-06-07
4-Amino-5-bromo-2-(trifluoromethyl)benzyl alcohol Chemical and Physical Properties
Names and Identifiers
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- 4-Amino-5-bromo-2-(trifluoromethyl)benzyl alcohol
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- Inchi: 1S/C8H7BrF3NO/c9-6-1-4(3-14)5(2-7(6)13)8(10,11)12/h1-2,14H,3,13H2
- InChI Key: MKSCZSWIWPGFIT-UHFFFAOYSA-N
- SMILES: BrC1C(=CC(C(F)(F)F)=C(CO)C=1)N
Computed Properties
- Exact Mass: 268.96631 g/mol
- Monoisotopic Mass: 268.96631 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 200
- 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: 1.9
- Topological Polar Surface Area: 46.2
- Molecular Weight: 270.05
4-Amino-5-bromo-2-(trifluoromethyl)benzyl alcohol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A014001555-250mg |
4-Amino-5-bromo-2-(trifluoromethyl)benzyl alcohol |
1805451-00-6 | 97% | 250mg |
475.20 USD | 2021-06-22 | |
| Alichem | A014001555-500mg |
4-Amino-5-bromo-2-(trifluoromethyl)benzyl alcohol |
1805451-00-6 | 97% | 500mg |
782.40 USD | 2021-06-22 | |
| Alichem | A014001555-1g |
4-Amino-5-bromo-2-(trifluoromethyl)benzyl alcohol |
1805451-00-6 | 97% | 1g |
1,549.60 USD | 2021-06-22 |
4-Amino-5-bromo-2-(trifluoromethyl)benzyl alcohol Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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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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