4-(4-Chlorophenoxy)aniline
TL;DR: 4-(4-Chlorophenoxy)aniline (CAS 101-79-1) is a chemical compound with molecular formula C12H10ClNO and molecular weight 219.04509 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chlorophenoxy)aniline
Also Known As: 4-(4-Chlorophenoxy)aniline, 4-Amino-4'-chlorodiphenyl ether, Benzenamine, 4-(4-chlorophenoxy)-, p-(p-Chlorophenoxy)aniline, 4-(4-Chlorophenoxy)benzenamine
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H10ClNO |
| Molecular Weight | 219.04509 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.04509 Da |
| Heavy Atoms | 15 |
| Complexity | 184.0 |
| SMILES | C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl |
| InChIKey | YTISFYMPVILQRL-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Chlorophenoxy)aniline
Property Insights of 4-(4-Chlorophenoxy)aniline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorophenoxy)aniline. With a topological polar surface area (TPSA) of 35.3 Ų, 4-(4-Chlorophenoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenoxy)aniline 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 4-(4-Chlorophenoxy)aniline?
The CAS number of 4-(4-Chlorophenoxy)aniline is 101-79-1.
What is the molecular formula of 4-(4-Chlorophenoxy)aniline?
The molecular formula of 4-(4-Chlorophenoxy)aniline is C12H10ClNO.
What is the molecular weight of 4-(4-Chlorophenoxy)aniline?
The molecular weight of 4-(4-Chlorophenoxy)aniline is 219.04509 g/mol.
Where can I buy 4-(4-Chlorophenoxy)aniline?
You can request a quote for 4-(4-Chlorophenoxy)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Chlorophenoxy)aniline?
Yes, CoreyChem provides custom synthesis services for 4-(4-Chlorophenoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.