2-Bromo-4-trifluoromethylaniline
TL;DR: 2-Bromo-4-trifluoromethylaniline (CAS 57946-63-1) is a chemical compound with molecular formula C7H5BrF3N and molecular weight 238.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-(trifluoromethyl)aniline
Also Known As: 2-Bromo-4-(trifluoromethyl)aniline, 4-Amino-3-bromobenzotrifluoride, 2-Bromo-4-trifluoromethylaniline, BTFMA, Benzenamine, 2-bromo-4-(trifluoromethyl)-
| Molecular Formula | C7H5BrF3N |
|---|---|
| Molecular Weight | 238.96 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.95575 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 57946-63-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Br)N |
| InChIKey | QKRJIXSZTKOFTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-4-trifluoromethylaniline (CAS 57946-63-1), with molecular formula C7H5BrF3N and molecular weight 238.96 g/mol. IUPAC: 2-bromo-4-(trifluoromethyl)aniline.
Chemical Property Profile of 2-Bromo-4-trifluoromethylaniline
Property Insights of 2-Bromo-4-trifluoromethylaniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-4-trifluoromethylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 2-Bromo-4-trifluoromethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-trifluoromethylaniline 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
Frequently Asked Questions
What is the CAS number of 2-Bromo-4-trifluoromethylaniline?
The CAS number of 2-Bromo-4-trifluoromethylaniline is 57946-63-1.
What is the molecular formula of 2-Bromo-4-trifluoromethylaniline?
The molecular formula of 2-Bromo-4-trifluoromethylaniline is C7H5BrF3N.
What is the molecular weight of 2-Bromo-4-trifluoromethylaniline?
The molecular weight of 2-Bromo-4-trifluoromethylaniline is 238.96 g/mol.
Where can I buy 2-Bromo-4-trifluoromethylaniline?
You can request a quote for 2-Bromo-4-trifluoromethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-trifluoromethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-trifluoromethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.