3-Chloro-4-(trifluoromethyl)aniline
TL;DR: 3-Chloro-4-(trifluoromethyl)aniline (CAS 445-13-6) 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.
3-chloro-4-(trifluoromethyl)aniline
Also Known As: 3-Chloro-4-(trifluoromethyl)aniline, 4-Amino-2-chlorobenzotrifluoride, 3-Chloro-4-trifluoromethylaniline, zr cg dxfff, 4-Amino-2- chlorobenzotrifluoride
| Molecular Formula | C7H5ClF3N |
|---|---|
| Molecular Weight | 195.01 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 | 195.00626 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 445-13-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)Cl)C(F)(F)F |
| InChIKey | KZAMRRANXJVDCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-4-(trifluoromethyl)aniline (CAS 445-13-6), with molecular formula C7H5ClF3N and molecular weight 195.01 g/mol. IUPAC: 3-chloro-4-(trifluoromethyl)aniline.
Chemical Property Profile of 3-Chloro-4-(trifluoromethyl)aniline
Property Insights of 3-Chloro-4-(trifluoromethyl)aniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-(trifluoromethyl)aniline. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Chloro-4-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Chloro-4-(trifluoromethyl)aniline?
The CAS number of 3-Chloro-4-(trifluoromethyl)aniline is 445-13-6.
What is the molecular formula of 3-Chloro-4-(trifluoromethyl)aniline?
The molecular formula of 3-Chloro-4-(trifluoromethyl)aniline is C7H5ClF3N.
What is the molecular weight of 3-Chloro-4-(trifluoromethyl)aniline?
The molecular weight of 3-Chloro-4-(trifluoromethyl)aniline is 195.01 g/mol.
Where can I buy 3-Chloro-4-(trifluoromethyl)aniline?
You can request a quote for 3-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 3-Chloro-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.