3-硝基苯甲腈
TL;DR: 3-硝基苯甲腈 (CAS 619-24-9) 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.
3-硝基苯甲腈
3-nitrobenzonitrile
Also Known As: 3-Nitrobenzonitrile, Benzonitrile, 3-nitro-, 3-Cyanonitrobenzene, M-NITROBENZONITRILE, m-Cyanonitrobenzene
| Molecular Formula | C7H4N2O2 |
|---|---|
| Molecular Weight | 148.03 g/mol |
| LogP | 1.2 |
| 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 |
| Vapor Pressure | 0.00217 [mmHg] |
Chemical Identifiers
| CAS Number | 619-24-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C#N |
| InChIKey | RUSAWEHOGCWOPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-硝基苯甲腈 (CAS 619-24-9), with molecular formula C7H4N2O2 and molecular weight 148.03 g/mol. IUPAC: 3-nitrobenzonitrile.
Chemical Property Profile of 3-硝基苯甲腈
Property Insights of 3-硝基苯甲腈
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-硝基苯甲腈. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-硝基苯甲腈. Following Lipinski's Rule of Five, 3-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 3-硝基苯甲腈?
The CAS number of 3-硝基苯甲腈 is 619-24-9.
What is the molecular formula of 3-硝基苯甲腈?
The molecular formula of 3-硝基苯甲腈 is C7H4N2O2.
What is the molecular weight of 3-硝基苯甲腈?
The molecular weight of 3-硝基苯甲腈 is 148.03 g/mol.
Where can I buy 3-硝基苯甲腈?
You can request a quote for 3-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 3-硝基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 3-硝基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.