4-Chloro-2-fluoroaniline
TL;DR: 4-Chloro-2-fluoroaniline (CAS 57946-56-2) is a chemical compound with molecular formula C6H5ClFN and molecular weight 145.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-fluoroaniline
Also Known As: 4-Chloro-2-fluoroaniline, 2-fluoro-4-chloroaniline, 4-chloro-2-fluorobenzenamine, 4-chloro-2-fluoro-aniline, 4-Chloro-2-fluoro-phenylamine
| Molecular Formula | C6H5ClFN |
|---|---|
| Molecular Weight | 145.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.00946 |
| Heavy Atoms | 9 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 57946-56-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)F)N |
| InChIKey | CSFDTBRRIBJILD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-fluoroaniline (CAS 57946-56-2), with molecular formula C6H5ClFN and molecular weight 145.01 g/mol. IUPAC: 4-chloro-2-fluoroaniline.
Chemical Property Profile of 4-Chloro-2-fluoroaniline
Property Insights of 4-Chloro-2-fluoroaniline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-fluoroaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Chloro-2-fluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-fluoroaniline has 1 hydrogen bond donor(s) and 2 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-Chloro-2-fluoroaniline?
The CAS number of 4-Chloro-2-fluoroaniline is 57946-56-2.
What is the molecular formula of 4-Chloro-2-fluoroaniline?
The molecular formula of 4-Chloro-2-fluoroaniline is C6H5ClFN.
What is the molecular weight of 4-Chloro-2-fluoroaniline?
The molecular weight of 4-Chloro-2-fluoroaniline is 145.01 g/mol.
Where can I buy 4-Chloro-2-fluoroaniline?
You can request a quote for 4-Chloro-2-fluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-fluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.