4-硝基二苯胺
TL;DR: 4-硝基二苯胺 (CAS 836-30-6) is a chemical compound with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基二苯胺
4-nitro-N-phenylaniline
Also Known As: 4-NITRODIPHENYLAMINE, 4-Nitro-N-phenylaniline, p-Nitrodiphenylamine, (4-nitrophenyl)phenylamine, 4-Nitrodifenylamin
| Molecular Formula | C12H10N2O2 |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.07423 |
| Heavy Atoms | 16 |
| Complexity | 226.0 |
| Melting Point | 133.5 °C |
| Boiling Point | 211 °C AT 30 MM HG |
| Solubility | INSOL IN WATER; VERY SOL IN ALCOHOL, ACETIC ACID |
| Flash Point | 190 °C |
| Vapor Pressure | 0.0000166 [mmHg] |
Chemical Identifiers
| CAS Number | 836-30-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | XXYMSQQCBUKFHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基二苯胺 (CAS 836-30-6), with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol. IUPAC: 4-nitro-N-phenylaniline.
Chemical Property Profile of 4-硝基二苯胺
Property Insights of 4-硝基二苯胺
The XLogP value of 3.7 indicates that 4-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, 4-硝基二苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-硝基二苯胺?
The CAS number of 4-硝基二苯胺 is 836-30-6.
What is the molecular formula of 4-硝基二苯胺?
The molecular formula of 4-硝基二苯胺 is C12H10N2O2.
What is the molecular weight of 4-硝基二苯胺?
The molecular weight of 4-硝基二苯胺 is 214.07 g/mol.
Where can I buy 4-硝基二苯胺?
You can request a quote for 4-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 4-硝基二苯胺?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基二苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.