3-(Trifluoromethyl)phenol
TL;DR: 3-(Trifluoromethyl)phenol (CAS 98-17-9) is a chemical compound with molecular formula C7H5F3O and molecular weight 162.02925 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(trifluoromethyl)phenol
Also Known As: 3-(Trifluoromethyl)phenol, 3-Trifluoromethylphenol, 3-Hydroxybenzotrifluoride, m-Hydroxybenzotrifluoride, m-trifluoromethylphenol
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5F3O |
| Molecular Weight | 162.02925 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.02925 Da |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
| SMILES | C1=CC(=CC(=C1)O)C(F)(F)F |
| InChIKey | UGEJOEBBMPOJMT-UHFFFAOYSA-N |
Product Description
Applications: 3-(Trifluoromethyl)phenol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-(Trifluoromethyl)phenol (CAS 98-17-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 3-(Trifluoromethyl)phenol (CAS 98-17-9) has the molecular formula C7H5F3O and a molecular weight of 162.03 g/mol. It is also known as 3-(Trifluoromethyl)phenol and 3-Trifluoromethylphenol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-(Trifluoromethyl)phenol
Property Insights of 3-(Trifluoromethyl)phenol
The XLogP value of 3.0 indicates that 3-(Trifluoromethyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3-(Trifluoromethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)phenol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Trifluoromethyl)phenol?
The CAS number of 3-(Trifluoromethyl)phenol is 98-17-9.
What is the molecular formula of 3-(Trifluoromethyl)phenol?
The molecular formula of 3-(Trifluoromethyl)phenol is C7H5F3O.
What is the molecular weight of 3-(Trifluoromethyl)phenol?
The molecular weight of 3-(Trifluoromethyl)phenol is 162.02925 g/mol.
What are the applications of 3-(Trifluoromethyl)phenol?
3-(Trifluoromethyl)phenol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-(Trifluoromethyl)phenol...
Where can I buy 3-(Trifluoromethyl)phenol?
You can request a quote for 3-(Trifluoromethyl)phenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Trifluoromethyl)phenol?
Yes, CoreyChem provides custom synthesis services for 3-(Trifluoromethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.