3-Chlorodiphenylamine
TL;DR: 3-Chlorodiphenylamine (CAS 101-17-7) is a chemical compound with molecular formula C12H10ClN and molecular weight 203.05017 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-N-phenylaniline
Also Known As: 3-Chlorodiphenylamine, 3-chloro-n-phenylaniline, Benzenamine, 3-chloro-N-phenyl-, m-Chlorodiphenylamine, 3-chlordiphenylamin
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H10ClN |
| Molecular Weight | 203.05017 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.05017 Da |
| Heavy Atoms | 14 |
| Complexity | 166.0 |
| SMILES | C1=CC=C(C=C1)NC2=CC(=CC=C2)Cl |
| InChIKey | OHHIBZKYXJDQEU-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chlorodiphenylamine
Property Insights of 3-Chlorodiphenylamine
The XLogP value of 4.1 indicates that 3-Chlorodiphenylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 3-Chlorodiphenylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorodiphenylamine has 1 hydrogen bond donor(s) and 1 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-Chlorodiphenylamine?
The CAS number of 3-Chlorodiphenylamine is 101-17-7.
What is the molecular formula of 3-Chlorodiphenylamine?
The molecular formula of 3-Chlorodiphenylamine is C12H10ClN.
What is the molecular weight of 3-Chlorodiphenylamine?
The molecular weight of 3-Chlorodiphenylamine is 203.05017 g/mol.
Where can I buy 3-Chlorodiphenylamine?
You can request a quote for 3-Chlorodiphenylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chlorodiphenylamine?
Yes, CoreyChem provides custom synthesis services for 3-Chlorodiphenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.