3,4-二氯苯胺
TL;DR: 3,4-二氯苯胺 (CAS 95-76-1) 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.
3,4-二氯苯胺
3,4-dichloroaniline
Also Known As: 3,4-DICHLOROANILINE, 3,4-Dichloraniline, 3,4-Dichlorobenzenamine, 3,4-Dichloranilin, 4,5-Dichloroaniline
| Molecular Formula | C6H5Cl2N |
|---|---|
| Molecular Weight | 160.98 g/mol |
| LogP | 2.7 |
| 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 | 97.0 |
| Melting Point | 72.2 °C |
| Boiling Point | 272.2 °C at 760 mmHg |
| Density | 1.33 at 85.0 °C |
| Solubility | less than 1 mg/mL at 70.7 °F (NTP, 1992) |
| Flash Point | 166.1 °C |
| Vapor Pressure | 1 mmHg at 81.1 °C |
Chemical Identifiers
| CAS Number | 95-76-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)Cl)Cl |
| InChIKey | SDYWXFYBZPNOFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二氯苯胺 (CAS 95-76-1), with molecular formula C6H5Cl2N and molecular weight 160.98 g/mol. IUPAC: 3,4-dichloroaniline.
Chemical Property Profile of 3,4-二氯苯胺
Property Insights of 3,4-二氯苯胺
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二氯苯胺. With a topological polar surface area (TPSA) of 26.0 Ų, 3,4-二氯苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-二氯苯胺 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 3,4-二氯苯胺?
The CAS number of 3,4-二氯苯胺 is 95-76-1.
What is the molecular formula of 3,4-二氯苯胺?
The molecular formula of 3,4-二氯苯胺 is C6H5Cl2N.
What is the molecular weight of 3,4-二氯苯胺?
The molecular weight of 3,4-二氯苯胺 is 160.98 g/mol.
Where can I buy 3,4-二氯苯胺?
You can request a quote for 3,4-二氯苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二氯苯胺?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二氯苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.