邻硝基苯胺
TL;DR: 邻硝基苯胺 (CAS 88-74-4) is a chemical compound with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻硝基苯胺
2-nitroaniline
Also Known As: 2-NITROANILINE, o-Nitroaniline, 2-Nitrobenzenamine, o-Nitraniline, Benzenamine, 2-nitro-
| Molecular Formula | C6H6N2O2 |
|---|---|
| Molecular Weight | 138.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.04292 |
| Heavy Atoms | 10 |
| Complexity | 132.0 |
| Melting Point | 71.5 °C |
| Boiling Point | 283.9 °C at 760 mmHg |
| Density | 1.44 at 20.0 °C |
| Solubility | less than 1 mg/mL at 70.7 °F (NTP, 1992) |
| Flash Point | 168.3 °C |
| Vapor Pressure | 1 mmHg at 104.0 °C ; <0.1 mmHg at 30.0 °C |
Chemical Identifiers
| CAS Number | 88-74-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)[N+](=O)[O-] |
| InChIKey | DPJCXCZTLWNFOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻硝基苯胺 (CAS 88-74-4), with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol. IUPAC: 2-nitroaniline.
Chemical Property Profile of 邻硝基苯胺
Property Insights of 邻硝基苯胺
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻硝基苯胺. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 邻硝基苯胺. Following Lipinski's Rule of Five, 邻硝基苯胺 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 邻硝基苯胺?
The CAS number of 邻硝基苯胺 is 88-74-4.
What is the molecular formula of 邻硝基苯胺?
The molecular formula of 邻硝基苯胺 is C6H6N2O2.
What is the molecular weight of 邻硝基苯胺?
The molecular weight of 邻硝基苯胺 is 138.04 g/mol.
Where can I buy 邻硝基苯胺?
You can request a quote for 邻硝基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻硝基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 邻硝基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.