2-硝基二苯氨
TL;DR: 2-硝基二苯氨 (CAS 119-75-5) 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.
2-硝基二苯氨
2-nitro-N-phenylaniline
Also Known As: 2-Nitrodiphenylamine, 2-Nitro-N-phenylaniline, o-Nitrodiphenylamine, Nitrodiphenylamine, Sudan Yellow 1339
| 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 | 234.0 |
| Melting Point | 75.5 °C |
| Density | 1.36 @25 °C |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 119-75-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | RUKISNQKOIKZGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-硝基二苯氨 (CAS 119-75-5), with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol. IUPAC: 2-nitro-N-phenylaniline.
Chemical Property Profile of 2-硝基二苯氨
Property Insights of 2-硝基二苯氨
The XLogP value of 3.7 indicates that 2-硝基二苯氨 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, 2-硝基二苯氨 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-硝基二苯氨 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-硝基二苯氨?
The CAS number of 2-硝基二苯氨 is 119-75-5.
What is the molecular formula of 2-硝基二苯氨?
The molecular formula of 2-硝基二苯氨 is C12H10N2O2.
What is the molecular weight of 2-硝基二苯氨?
The molecular weight of 2-硝基二苯氨 is 214.07 g/mol.
Where can I buy 2-硝基二苯氨?
You can request a quote for 2-硝基二苯氨 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-硝基二苯氨?
Yes, KEHONG BIO provides custom synthesis services for 2-硝基二苯氨 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.