五氯硝基苯
TL;DR: 五氯硝基苯 (CAS 82-68-8) is a chemical compound with molecular formula C6Cl5NO2 and molecular weight 292.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
五氯硝基苯
1,2,3,4,5-pentachloro-6-nitrobenzene
Also Known As: Quintozene, PENTACHLORONITROBENZENE, Brassicol, Fartox, Terrachlor
| Molecular Formula | C6Cl5NO2 |
|---|---|
| Molecular Weight | 292.84 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 294.83423 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
| Melting Point | 146.1 °C |
| Boiling Point | 327.8 °C at 760 mmHg (with some decomposition) |
| Density | 1.718 at 25.0 °C |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Vapor Pressure | 0.013 mmHg at 25.0 °C |
Chemical Identifiers
| CAS Number | 82-68-8 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-] |
| InChIKey | LKPLKUMXSAEKID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
五氯硝基苯 (CAS 82-68-8), with molecular formula C6Cl5NO2 and molecular weight 292.84 g/mol. IUPAC: 1,2,3,4,5-pentachloro-6-nitrobenzene.
Chemical Property Profile of 五氯硝基苯
Property Insights of 五氯硝基苯
The XLogP value of 4.2 indicates that 五氯硝基苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 五氯硝基苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 五氯硝基苯 has 0 hydrogen bond donor(s) and 2 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 五氯硝基苯?
The CAS number of 五氯硝基苯 is 82-68-8.
What is the molecular formula of 五氯硝基苯?
The molecular formula of 五氯硝基苯 is C6Cl5NO2.
What is the molecular weight of 五氯硝基苯?
The molecular weight of 五氯硝基苯 is 292.84 g/mol.
Where can I buy 五氯硝基苯?
You can request a quote for 五氯硝基苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 五氯硝基苯?
Yes, KEHONG BIO provides custom synthesis services for 五氯硝基苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.