四硝基甲烷
TL;DR: 四硝基甲烷 (CAS 509-14-8) is a chemical compound with molecular formula CN4O8 and molecular weight 195.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四硝基甲烷
tetranitromethane
Also Known As: TETRANITROMETHANE, Tetan, Methane, tetranitro-, Tetranitrometan, Tetranitrometano
| Molecular Formula | CN4O8 |
|---|---|
| Molecular Weight | 195.97 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.97162 |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
| Melting Point | 14.2 °C |
| Boiling Point | 126.1 °C at 760 mmHg |
| Density | 1.638 at 20.0 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | greater than 112.8 °C |
| Vapor Pressure | 13 mmHg at 25.0 °C |
| Refractive Index | = 1.4384 at 20 °C |
Chemical Identifiers
| CAS Number | 509-14-8 |
|---|---|
| SMILES | C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NYTOUQBROMCLBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
四硝基甲烷 (CAS 509-14-8), with molecular formula CN4O8 and molecular weight 195.97 g/mol. IUPAC: tetranitromethane.
Chemical Property Profile of 四硝基甲烷
Property Insights of 四硝基甲烷
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 四硝基甲烷. The TPSA of 183.0 Ų indicates high polarity, suggesting 四硝基甲烷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 四硝基甲烷 has 0 hydrogen bond donor(s) and 8 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 四硝基甲烷?
The CAS number of 四硝基甲烷 is 509-14-8.
What is the molecular formula of 四硝基甲烷?
The molecular formula of 四硝基甲烷 is CN4O8.
What is the molecular weight of 四硝基甲烷?
The molecular weight of 四硝基甲烷 is 195.97 g/mol.
Where can I buy 四硝基甲烷?
You can request a quote for 四硝基甲烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四硝基甲烷?
Yes, KEHONG BIO provides custom synthesis services for 四硝基甲烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.