3-Chloro-4-(2-chlorophenoxy)aniline
TL;DR: 3-Chloro-4-(2-chlorophenoxy)aniline (CAS 56966-54-2) is a chemical compound with molecular formula C12H9Cl2NO and molecular weight 253.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-(2-chlorophenoxy)aniline
Also Known As: 3-chloro-4-(2-chlorophenoxy)aniline, NCIOpen2_003938, 5817AE, 3-Chloro-4-(2-chlorophenoxy)benzenamine, 3-Chloro-4-(2-chlorophenoxy)phenylamine
| Molecular Formula | C12H9Cl2NO |
|---|---|
| Molecular Weight | 253.01 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.00612 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 56966-54-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OC2=C(C=C(C=C2)N)Cl)Cl |
| InChIKey | YYADBYCIGQCOFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-4-(2-chlorophenoxy)aniline (CAS 56966-54-2), with molecular formula C12H9Cl2NO and molecular weight 253.01 g/mol. IUPAC: 3-chloro-4-(2-chlorophenoxy)aniline.
Chemical Property Profile of 3-Chloro-4-(2-chlorophenoxy)aniline
Property Insights of 3-Chloro-4-(2-chlorophenoxy)aniline
The XLogP value of 4.2 indicates that 3-Chloro-4-(2-chlorophenoxy)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, 3-Chloro-4-(2-chlorophenoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-(2-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
Frequently Asked Questions
What is the CAS number of 3-Chloro-4-(2-chlorophenoxy)aniline?
The CAS number of 3-Chloro-4-(2-chlorophenoxy)aniline is 56966-54-2.
What is the molecular formula of 3-Chloro-4-(2-chlorophenoxy)aniline?
The molecular formula of 3-Chloro-4-(2-chlorophenoxy)aniline is C12H9Cl2NO.
What is the molecular weight of 3-Chloro-4-(2-chlorophenoxy)aniline?
The molecular weight of 3-Chloro-4-(2-chlorophenoxy)aniline is 253.01 g/mol.
Where can I buy 3-Chloro-4-(2-chlorophenoxy)aniline?
You can request a quote for 3-Chloro-4-(2-chlorophenoxy)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-(2-chlorophenoxy)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(2-chlorophenoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.