4-(Trifluoromethyl)aniline
TL;DR: 4-(Trifluoromethyl)aniline (CAS 455-14-1) is a chemical compound with molecular formula C7H6F3N and molecular weight 161.04523 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(trifluoromethyl)aniline
Also Known As: 4-(Trifluoromethyl)aniline, 4-Aminobenzotrifluoride, 4-Trifluoromethylaniline, p-Aminobenzotrifluoride, p-Trifluoromethylaniline
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6F3N |
| Molecular Weight | 161.04523 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.04523 Da |
| Heavy Atoms | 11 |
| Complexity | 124.0 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)N |
| InChIKey | ODGIMMLDVSWADK-UHFFFAOYSA-N |
Product Description
Applications: 4-(Trifluoromethyl)aniline 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-(Trifluoromethyl)aniline is a heterocyclic building block identified by CAS number 455-14-1 and the molecular formula C7H6F3N and a molecular weight of 161.05 g/mol. Synonyms include 4-(Trifluoromethyl)aniline and 4-Aminobenzotrifluoride.
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 4-(Trifluoromethyl)aniline
Property Insights of 4-(Trifluoromethyl)aniline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trifluoromethyl)aniline. With a topological polar surface area (TPSA) of 26.0 Ų, 4-(Trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethyl)aniline 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 4-(Trifluoromethyl)aniline?
The CAS number of 4-(Trifluoromethyl)aniline is 455-14-1.
What is the molecular formula of 4-(Trifluoromethyl)aniline?
The molecular formula of 4-(Trifluoromethyl)aniline is C7H6F3N.
What is the molecular weight of 4-(Trifluoromethyl)aniline?
The molecular weight of 4-(Trifluoromethyl)aniline is 161.04523 g/mol.
What are the applications of 4-(Trifluoromethyl)aniline?
4-(Trifluoromethyl)aniline 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. Available from CoreyChem as both catalog item...
Where can I buy 4-(Trifluoromethyl)aniline?
You can request a quote for 4-(Trifluoromethyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Trifluoromethyl)aniline?
Yes, CoreyChem provides custom synthesis services for 4-(Trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.