4-氯苯胺
TL;DR: 4-氯苯胺 (CAS 106-47-8) is a chemical compound with molecular formula C6H6ClN and molecular weight 127.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯苯胺
4-chloroaniline
Also Known As: 4-CHLOROANILINE, p-Chloroaniline, 4-Chlorobenzenamine, p-Chloraniline, 4-Chlorophenylamine
| Molecular Formula | C6H6ClN |
|---|---|
| Molecular Weight | 127.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.018875 |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
| Melting Point | 72.5 °C |
| Boiling Point | 232.2 °C at 760 mmHg |
| Density | 1.43 at 19.0 °C |
| Solubility | less than 1 mg/mL at 74.3 °F (NTP, 1992) |
| Flash Point | 112.8 °C |
| Vapor Pressure | 0.015 mmHg at 20.0 °C ; 0.05 mmHg at 30.0 °C |
| Refractive Index | 1.5546 at 87 °C |
Chemical Identifiers
| CAS Number | 106-47-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N)Cl |
| InChIKey | QSNSCYSYFYORTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯苯胺 (CAS 106-47-8), with molecular formula C6H6ClN and molecular weight 127.02 g/mol. IUPAC: 4-chloroaniline.
Chemical Property Profile of 4-氯苯胺
Property Insights of 4-氯苯胺
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯苯胺. With a topological polar surface area (TPSA) of 26.0 Ų, 4-氯苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-氯苯胺?
The CAS number of 4-氯苯胺 is 106-47-8.
What is the molecular formula of 4-氯苯胺?
The molecular formula of 4-氯苯胺 is C6H6ClN.
What is the molecular weight of 4-氯苯胺?
The molecular weight of 4-氯苯胺 is 127.02 g/mol.
Where can I buy 4-氯苯胺?
You can request a quote for 4-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 4-氯苯胺?
Yes, KEHONG BIO provides custom synthesis services for 4-氯苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.