3-Chloro-4-fluoroaniline
TL;DR: 3-Chloro-4-fluoroaniline (CAS 367-21-5) is a chemical compound with molecular formula C6H5ClFN and molecular weight 145.00946 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-4-fluoroaniline
Also Known As: 3-CHLORO-4-FLUOROANILINE, alsterpaullone, Triphenylsilanol, 3-Chloro-4-fluorobenzenamine, Benzenamine, 3-chloro-4-fluoro-
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5ClFN |
| Molecular Weight | 145.00946 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.00946 Da |
| Heavy Atoms | 9 |
| Complexity | 99.0 |
| SMILES | C1=CC(=C(C=C1N)Cl)F |
| InChIKey | YSEMCVGMNUUNRK-UHFFFAOYSA-N |
Product Description
Applications: 3-Chloro-4-fluoroaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Chloro-4-fluoroaniline (CAS 367-21-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 3-Chloro-4-fluoroaniline (CAS 367-21-5) has the molecular formula C6H5ClFN and a molecular weight of 145.01 g/mol. It is also known as 3-CHLORO-4-FLUOROANILINE and alsterpaullone.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Chloro-4-fluoroaniline
Property Insights of 3-Chloro-4-fluoroaniline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-fluoroaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Chloro-4-fluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-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
What is the CAS number of 3-Chloro-4-fluoroaniline?
The CAS number of 3-Chloro-4-fluoroaniline is 367-21-5.
What is the molecular formula of 3-Chloro-4-fluoroaniline?
The molecular formula of 3-Chloro-4-fluoroaniline is C6H5ClFN.
What is the molecular weight of 3-Chloro-4-fluoroaniline?
The molecular weight of 3-Chloro-4-fluoroaniline is 145.00946 g/mol.
What are the applications of 3-Chloro-4-fluoroaniline?
3-Chloro-4-fluoroaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Chloro-4-fluoroaniline (CAS...
Where can I buy 3-Chloro-4-fluoroaniline?
You can request a quote for 3-Chloro-4-fluoroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-4-fluoroaniline?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-4-fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.