5-氯-2-硝基二苯胺
TL;DR: 5-氯-2-硝基二苯胺 (CAS 25781-92-4) is a chemical compound with molecular formula C12H9ClN2O2 and molecular weight 248.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氯-2-硝基二苯胺
5-chloro-2-nitro-N-phenylaniline
Also Known As: 5-Chloro-2-nitrodiphenylamine, 5-chloro-2-nitro-n-phenylaniline, 5-Chloro-2-Nitro-N-Phenyl-Benzenamine, Benzenamine, 5-chloro-2-nitro-N-phenyl-, Acrylonitrile, a-b-diphenyl-
| Molecular Formula | C12H9ClN2O2 |
|---|---|
| Molecular Weight | 248.04 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.03525 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 25781-92-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-] |
| InChIKey | FPKHZBVGKMTUHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氯-2-硝基二苯胺 (CAS 25781-92-4), with molecular formula C12H9ClN2O2 and molecular weight 248.04 g/mol. IUPAC: 5-chloro-2-nitro-N-phenylaniline.
Chemical Property Profile of 5-氯-2-硝基二苯胺
Property Insights of 5-氯-2-硝基二苯胺
The XLogP value of 4.3 indicates that 5-氯-2-硝基二苯胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, 5-氯-2-硝基二苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氯-2-硝基二苯胺 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 5-氯-2-硝基二苯胺?
The CAS number of 5-氯-2-硝基二苯胺 is 25781-92-4.
What is the molecular formula of 5-氯-2-硝基二苯胺?
The molecular formula of 5-氯-2-硝基二苯胺 is C12H9ClN2O2.
What is the molecular weight of 5-氯-2-硝基二苯胺?
The molecular weight of 5-氯-2-硝基二苯胺 is 248.04 g/mol.
Where can I buy 5-氯-2-硝基二苯胺?
You can request a quote for 5-氯-2-硝基二苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氯-2-硝基二苯胺?
Yes, KEHONG BIO provides custom synthesis services for 5-氯-2-硝基二苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.