3,4-dichloro-N-phenylaniline
TL;DR: 3,4-dichloro-N-phenylaniline (CAS 116631-92-6) is a chemical compound with molecular formula C12H9Cl2N and molecular weight 237.0112 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dichloro-N-phenylaniline
Also Known As: 3,4-dichloro-N-phenylaniline, N-3,4-Dichlorophenylaniline, 3,4-Dichlorophenylphenylamine, 3,4-dichlorophenyl-phenylamine, (3,4-dichlorophenyl)phenylamine
Technical Specifications
| Molecular Formula | C12H9Cl2N |
| Molecular Weight | 237.0112 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.0112 Da |
| Heavy Atoms | 15 |
| Complexity | 192.0 |
| SMILES | C1=CC=C(C=C1)NC2=CC(=C(C=C2)Cl)Cl |
| InChIKey | AWSLRBVHZDHBCA-UHFFFAOYSA-N |
Chemical Property Profile of 3,4-dichloro-N-phenylaniline
Property Insights of 3,4-dichloro-N-phenylaniline
The XLogP value of 4.9 indicates that 3,4-dichloro-N-phenylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 3,4-dichloro-N-phenylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dichloro-N-phenylaniline 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 3,4-dichloro-N-phenylaniline?
The CAS number of 3,4-dichloro-N-phenylaniline is 116631-92-6.
What is the molecular formula of 3,4-dichloro-N-phenylaniline?
The molecular formula of 3,4-dichloro-N-phenylaniline is C12H9Cl2N.
What is the molecular weight of 3,4-dichloro-N-phenylaniline?
The molecular weight of 3,4-dichloro-N-phenylaniline is 237.0112 g/mol.
Where can I buy 3,4-dichloro-N-phenylaniline?
You can request a quote for 3,4-dichloro-N-phenylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-dichloro-N-phenylaniline?
Yes, CoreyChem provides custom synthesis services for 3,4-dichloro-N-phenylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.