2-氯-4-硝基苯胺
TL;DR: 2-氯-4-硝基苯胺 (CAS 121-87-9) is a chemical compound with molecular formula C6H5ClN2O2 and molecular weight 172.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-4-硝基苯胺
2-chloro-4-nitroaniline
Also Known As: 2-Chloro-4-nitroaniline, Ocpna, o-Chloro-p-nitroaniline, 2-Chloro-4-nitrobenzenamine, 4-Nitro-2-chloroaniline
| Molecular Formula | C6H5ClN2O2 |
|---|---|
| Molecular Weight | 172.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.00395 |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
| Melting Point | 225 to 108.9 °C |
| Solubility | Very soluble in ether, ethanol, acetic acid |
| Flash Point | 205 °C |
| Vapor Pressure | 0.000485 [mmHg] |
Chemical Identifiers
| CAS Number | 121-87-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)N |
| InChIKey | LOCWBQIWHWIRGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯-4-硝基苯胺 (CAS 121-87-9), with molecular formula C6H5ClN2O2 and molecular weight 172.00 g/mol. IUPAC: 2-chloro-4-nitroaniline.
Chemical Property Profile of 2-氯-4-硝基苯胺
Property Insights of 2-氯-4-硝基苯胺
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-4-硝基苯胺. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氯-4-硝基苯胺. Following Lipinski's Rule of Five, 2-氯-4-硝基苯胺 has 1 hydrogen bond donor(s) and 3 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-氯-4-硝基苯胺?
The CAS number of 2-氯-4-硝基苯胺 is 121-87-9.
What is the molecular formula of 2-氯-4-硝基苯胺?
The molecular formula of 2-氯-4-硝基苯胺 is C6H5ClN2O2.
What is the molecular weight of 2-氯-4-硝基苯胺?
The molecular weight of 2-氯-4-硝基苯胺 is 172.00 g/mol.
Where can I buy 2-氯-4-硝基苯胺?
You can request a quote for 2-氯-4-硝基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-4-硝基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-4-硝基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.