4-Bromo-2-fluoro-5-(trifluoromethyl)aniline
TL;DR: 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline (CAS 104461-70-3) is a chemical compound with molecular formula C7H4BrF4N and molecular weight 256.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-fluoro-5-(trifluoromethyl)aniline
Also Known As: 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline, undeca-2,8,10-trienoyl chloride, WT109, s10883, 2-Bromo-4-Fluoro-5-Aminobenzotrifluoride
| Molecular Formula | C7H4BrF4N |
|---|---|
| Molecular Weight | 256.95 g/mol |
| LogP | 3.1892 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.94632 |
| Heavy Atoms | 13 |
| Complexity | 333.99982 |
Chemical Identifiers
| CAS Number | 104461-70-3 |
|---|---|
| SMILES | C1=C(C(=CC(=C1N)F)Br)C(F)(F)F |
Product Overview
4-Bromo-2-fluoro-5-(trifluoromethyl)aniline (CAS 104461-70-3), with molecular formula C7H4BrF4N and molecular weight 256.95 g/mol. IUPAC: 4-bromo-2-fluoro-5-(trifluoromethyl)aniline.
Chemical Property Profile of 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline
Property Insights of 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline
The XLogP value of 3.1892 indicates that 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 1 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 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline?
The CAS number of 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline is 104461-70-3.
What is the molecular formula of 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline?
The molecular formula of 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline is C7H4BrF4N.
What is the molecular weight of 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline?
The molecular weight of 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline is 256.95 g/mol.
Where can I buy 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline?
You can request a quote for 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.