2,6-二氯苯胺
TL;DR: 2,6-二氯苯胺 (CAS 608-31-1) is a chemical compound with molecular formula C6H5Cl2N and molecular weight 160.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-二氯苯胺
2,6-dichloroaniline
Also Known As: 2,6-DICHLOROANILINE, 2,6-dichlorobenzenamine, Benzenamine, 2,6-dichloro-, null, 2,6-Dichloranilin
| Molecular Formula | C6H5Cl2N |
|---|---|
| Molecular Weight | 160.98 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.9799 |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
| Melting Point | 39 °C |
| Boiling Point | at 0.7kPa: 97 °C |
| Solubility | Solubility in water: poor |
| Flash Point | >112 °C |
Chemical Identifiers
| CAS Number | 608-31-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)N)Cl |
| InChIKey | JDMFXJULNGEPOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-二氯苯胺 (CAS 608-31-1), with molecular formula C6H5Cl2N and molecular weight 160.98 g/mol. IUPAC: 2,6-dichloroaniline.
Chemical Property Profile of 2,6-二氯苯胺
Property Insights of 2,6-二氯苯胺
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-二氯苯胺. With a topological polar surface area (TPSA) of 26.0 Ų, 2,6-二氯苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-二氯苯胺 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
Frequently Asked Questions
What is the CAS number of 2,6-二氯苯胺?
The CAS number of 2,6-二氯苯胺 is 608-31-1.
What is the molecular formula of 2,6-二氯苯胺?
The molecular formula of 2,6-二氯苯胺 is C6H5Cl2N.
What is the molecular weight of 2,6-二氯苯胺?
The molecular weight of 2,6-二氯苯胺 is 160.98 g/mol.
Where can I buy 2,6-二氯苯胺?
You can request a quote for 2,6-二氯苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-二氯苯胺?
Yes, KEHONG BIO provides custom synthesis services for 2,6-二氯苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.