2-Chloro-3-fluoroaniline
TL;DR: 2-Chloro-3-fluoroaniline (CAS 21397-08-0) 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.
2-chloro-3-fluoroaniline
Also Known As: 2-Chloro-3-fluoroaniline, 2-chloro-3-fluorobenzenamine, 2-chloro-3-fluoro aniline, 2-Chloro-3-fluoro-aniline, 2-chlor-3-fluoranilin
| Molecular Formula | C6H5ClFN |
|---|---|
| Molecular Weight | 145.01 g/mol |
| LogP | 2.3 |
| 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 | 21397-08-0 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)Cl)N |
| InChIKey | FJKIADFDXOCBRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-3-fluoroaniline (CAS 21397-08-0), with molecular formula C6H5ClFN and molecular weight 145.01 g/mol. IUPAC: 2-chloro-3-fluoroaniline.
Chemical Property Profile of 2-Chloro-3-fluoroaniline
Property Insights of 2-Chloro-3-fluoroaniline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-fluoroaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 2-Chloro-3-fluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-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 2-Chloro-3-fluoroaniline?
The CAS number of 2-Chloro-3-fluoroaniline is 21397-08-0.
What is the molecular formula of 2-Chloro-3-fluoroaniline?
The molecular formula of 2-Chloro-3-fluoroaniline is C6H5ClFN.
What is the molecular weight of 2-Chloro-3-fluoroaniline?
The molecular weight of 2-Chloro-3-fluoroaniline is 145.01 g/mol.
Where can I buy 2-Chloro-3-fluoroaniline?
You can request a quote for 2-Chloro-3-fluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-fluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.