2-Chloro-4-trifluoromethylaniline
TL;DR: 2-Chloro-4-trifluoromethylaniline (CAS 52460-86-3) is a chemical compound with molecular formula C7H5ClF3N and molecular weight 195.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-(trifluoromethyl)aniline
Also Known As: 2-Chloro-4-(trifluoromethyl)aniline, 4-Amino-3-chlorobenzotrifluoride, haloaniline, zr bg dxfff, 2-Chloro-4-trifluoromethylaniline
| Molecular Formula | C7H5ClF3N |
|---|---|
| Molecular Weight | 195.01 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.00626 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 52460-86-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Cl)N |
| InChIKey | MBBUTABXEITVNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4-trifluoromethylaniline (CAS 52460-86-3), with molecular formula C7H5ClF3N and molecular weight 195.01 g/mol. IUPAC: 2-chloro-4-(trifluoromethyl)aniline.
Chemical Property Profile of 2-Chloro-4-trifluoromethylaniline
Property Insights of 2-Chloro-4-trifluoromethylaniline
The XLogP value of 3.1 indicates that 2-Chloro-4-trifluoromethylaniline 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-Chloro-4-trifluoromethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-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-Chloro-4-trifluoromethylaniline?
The CAS number of 2-Chloro-4-trifluoromethylaniline is 52460-86-3.
What is the molecular formula of 2-Chloro-4-trifluoromethylaniline?
The molecular formula of 2-Chloro-4-trifluoromethylaniline is C7H5ClF3N.
What is the molecular weight of 2-Chloro-4-trifluoromethylaniline?
The molecular weight of 2-Chloro-4-trifluoromethylaniline is 195.01 g/mol.
Where can I buy 2-Chloro-4-trifluoromethylaniline?
You can request a quote for 2-Chloro-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-Chloro-4-trifluoromethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-trifluoromethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.