3-氯苯胺
TL;DR: 3-氯苯胺 (CAS 108-42-9) 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.
3-氯苯胺
3-chloroaniline
Also Known As: 3-CHLOROANILINE, m-Chloroaniline, 3-Chlorobenzenamine, m-Chloraniline, 3-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 | 74.0 |
| Melting Point | -10.3 °C |
| Boiling Point | 230.5 °C at 760 mmHg |
| Density | 1.216 at 20.0 °C |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| Flash Point | 123.9 °C |
| Vapor Pressure | less than 0.1 mmHg at 30.0 °C ; 1 mmHg at 63.5 °C; 760 mmHg at 228.5 °C |
| Refractive Index | 1.5931 at 20 °C |
Chemical Identifiers
| CAS Number | 108-42-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N |
| InChIKey | PNPCRKVUWYDDST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯苯胺 (CAS 108-42-9), with molecular formula C6H6ClN and molecular weight 127.02 g/mol. IUPAC: 3-chloroaniline.
Chemical Property Profile of 3-氯苯胺
Property Insights of 3-氯苯胺
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯苯胺. With a topological polar surface area (TPSA) of 26.0 Ų, 3-氯苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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-氯苯胺?
The CAS number of 3-氯苯胺 is 108-42-9.
What is the molecular formula of 3-氯苯胺?
The molecular formula of 3-氯苯胺 is C6H6ClN.
What is the molecular weight of 3-氯苯胺?
The molecular weight of 3-氯苯胺 is 127.02 g/mol.
Where can I buy 3-氯苯胺?
You can request a quote for 3-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-氯苯胺?
Yes, KEHONG BIO provides custom synthesis services for 3-氯苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.