2-Bromo-4,5,6-trifluoroaniline
TL;DR: 2-Bromo-4,5,6-trifluoroaniline (CAS 175278-00-9) is a chemical compound with molecular formula C6H3BrF3N and molecular weight 224.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2,3,4-trifluoroaniline
Also Known As: 6-bromo-2,3,4-trifluoroaniline, 2-Bromo-4,5,6-trifluoroaniline, 2,3,4-trifluoro-6-bromoaniline, 2-bromo-4,5,6-trifluoroanline, 2-(Trifluoromethoxy)iodobenzene
| Molecular Formula | C6H3BrF3N |
|---|---|
| Molecular Weight | 224.94 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.9401 |
| Heavy Atoms | 11 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 175278-00-9 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Br)N)F)F)F |
| InChIKey | AKJNEERVRJOBPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-4,5,6-trifluoroaniline (CAS 175278-00-9), with molecular formula C6H3BrF3N and molecular weight 224.94 g/mol. IUPAC: 6-bromo-2,3,4-trifluoroaniline.
Chemical Property Profile of 2-Bromo-4,5,6-trifluoroaniline
Property Insights of 2-Bromo-4,5,6-trifluoroaniline
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-4,5,6-trifluoroaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 2-Bromo-4,5,6-trifluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4,5,6-trifluoroaniline 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-4,5,6-trifluoroaniline?
The CAS number of 2-Bromo-4,5,6-trifluoroaniline is 175278-00-9.
What is the molecular formula of 2-Bromo-4,5,6-trifluoroaniline?
The molecular formula of 2-Bromo-4,5,6-trifluoroaniline is C6H3BrF3N.
What is the molecular weight of 2-Bromo-4,5,6-trifluoroaniline?
The molecular weight of 2-Bromo-4,5,6-trifluoroaniline is 224.94 g/mol.
Where can I buy 2-Bromo-4,5,6-trifluoroaniline?
You can request a quote for 2-Bromo-4,5,6-trifluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4,5,6-trifluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4,5,6-trifluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.