2-硝基苯甲腈
TL;DR: 2-硝基苯甲腈 (CAS 612-24-8) is a chemical compound with molecular formula C7H4N2O2 and molecular weight 148.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-硝基苯甲腈
2-nitrobenzonitrile
Also Known As: 2-Nitrobenzonitrile, o-Nitrobenzonitrile, o-Cyanonitrobenzene, 2-Cyanonitrobenzene, Benzonitrile, 2-nitro-
| Molecular Formula | C7H4N2O2 |
|---|---|
| Molecular Weight | 148.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.02728 |
| Heavy Atoms | 11 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 612-24-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)[N+](=O)[O-] |
| InChIKey | SWBDKCMOLSUXRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-硝基苯甲腈 (CAS 612-24-8), with molecular formula C7H4N2O2 and molecular weight 148.03 g/mol. IUPAC: 2-nitrobenzonitrile.
Chemical Property Profile of 2-硝基苯甲腈
Property Insights of 2-硝基苯甲腈
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-硝基苯甲腈. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-硝基苯甲腈. Following Lipinski's Rule of Five, 2-硝基苯甲腈 has 0 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-硝基苯甲腈?
The CAS number of 2-硝基苯甲腈 is 612-24-8.
What is the molecular formula of 2-硝基苯甲腈?
The molecular formula of 2-硝基苯甲腈 is C7H4N2O2.
What is the molecular weight of 2-硝基苯甲腈?
The molecular weight of 2-硝基苯甲腈 is 148.03 g/mol.
Where can I buy 2-硝基苯甲腈?
You can request a quote for 2-硝基苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-硝基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2-硝基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.