2-Bromo-6-chloro-4-(trifluoromethyl)aniline
TL;DR: 2-Bromo-6-chloro-4-(trifluoromethyl)aniline (CAS 109786-20-1) is a chemical compound with molecular formula C7H4BrClF3N and molecular weight 272.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-6-chloro-4-(trifluoromethyl)aniline
Also Known As: 2-Bromo-6-chloro-4-(trifluoromethyl)aniline, 4-Amino-3-bromo-5-chlorobenzotrifluoride, BUTTPARK 44\03-53, 2-bromo-6-trifluoromethylaniline, 2-bromo-6-chloro-4-trifluoromethylaniline
| Molecular Formula | C7H4BrClF3N |
|---|---|
| Molecular Weight | 272.92 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.91678 |
| Heavy Atoms | 13 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 109786-20-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)N)Br)C(F)(F)F |
| InChIKey | OVJCOPVKCCJSFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-6-chloro-4-(trifluoromethyl)aniline (CAS 109786-20-1), with molecular formula C7H4BrClF3N and molecular weight 272.92 g/mol. IUPAC: 2-bromo-6-chloro-4-(trifluoromethyl)aniline.
Chemical Property Profile of 2-Bromo-6-chloro-4-(trifluoromethyl)aniline
Property Insights of 2-Bromo-6-chloro-4-(trifluoromethyl)aniline
The XLogP value of 3.4 indicates that 2-Bromo-6-chloro-4-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 2-Bromo-6-chloro-4-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-6-chloro-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
Frequently Asked Questions
What is the CAS number of 2-Bromo-6-chloro-4-(trifluoromethyl)aniline?
The CAS number of 2-Bromo-6-chloro-4-(trifluoromethyl)aniline is 109786-20-1.
What is the molecular formula of 2-Bromo-6-chloro-4-(trifluoromethyl)aniline?
The molecular formula of 2-Bromo-6-chloro-4-(trifluoromethyl)aniline is C7H4BrClF3N.
What is the molecular weight of 2-Bromo-6-chloro-4-(trifluoromethyl)aniline?
The molecular weight of 2-Bromo-6-chloro-4-(trifluoromethyl)aniline is 272.92 g/mol.
Where can I buy 2-Bromo-6-chloro-4-(trifluoromethyl)aniline?
You can request a quote for 2-Bromo-6-chloro-4-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-6-chloro-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-6-chloro-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.