2-(Trifluoromethyl)aniline
TL;DR: 2-(Trifluoromethyl)aniline (CAS 88-17-5) 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.
2-(trifluoromethyl)aniline
Also Known As: 2-Aminobenzotrifluoride, 2-(TRIFLUOROMETHYL)ANILINE, o-Aminobenzotrifluoride, 2-Trifluoromethylaniline, o-Trifluoromethylaniline
Application Areas
Top 5 of 18 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 | 132.0 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)N |
| InChIKey | VBLXCTYLWZJBKA-UHFFFAOYSA-N |
Product Description
Applications: 2-(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. CoreyChem supplies 2-(Trifluoromethyl)aniline (CAS 88-17-5) 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, 2-(Trifluoromethyl)aniline (CAS 88-17-5) has the molecular formula C7H6F3N and a molecular weight of 161.05 g/mol. It is also known as 2-Aminobenzotrifluoride and 2-(TRIFLUOROMETHYL)ANILINE.
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 2-(Trifluoromethyl)aniline
Property Insights of 2-(Trifluoromethyl)aniline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trifluoromethyl)aniline. With a topological polar surface area (TPSA) of 26.0 Ų, 2-(Trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(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 2-(Trifluoromethyl)aniline?
The CAS number of 2-(Trifluoromethyl)aniline is 88-17-5.
What is the molecular formula of 2-(Trifluoromethyl)aniline?
The molecular formula of 2-(Trifluoromethyl)aniline is C7H6F3N.
What is the molecular weight of 2-(Trifluoromethyl)aniline?
The molecular weight of 2-(Trifluoromethyl)aniline is 161.04523 g/mol.
What are the applications of 2-(Trifluoromethyl)aniline?
2-(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. CoreyChem supplies 2-(Trifluoromethyl)aniline...
Where can I buy 2-(Trifluoromethyl)aniline?
You can request a quote for 2-(Trifluoromethyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Trifluoromethyl)aniline?
Yes, CoreyChem provides custom synthesis services for 2-(Trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.