百菌清
TL;DR: 百菌清 (CAS 1897-45-6) is a chemical compound with molecular formula C8Cl4N2 and molecular weight 263.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
百菌清
2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile
Also Known As: CHLOROTHALONIL, Daconil, Tetrachloroisophthalonitrile, Bravo, Nopcocide
| Molecular Formula | C8Cl4N2 |
|---|---|
| Molecular Weight | 263.88 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 265.8786 |
| Heavy Atoms | 14 |
| Complexity | 284.0 |
| Melting Point | 482 to 251.1 °C |
| Boiling Point | 350.0 °C at 760 mmHg |
| Density | 1.7 at 25.0 °C |
| Solubility | less than 0.1 mg/mL at 70 °F (NTP, 1992) |
| Vapor Pressure | less than 0.01 mmHg at 40.0 °C ; 9.2 mmHg at 170.4 °C |
Chemical Identifiers
| CAS Number | 1897-45-6 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl |
| InChIKey | CRQQGFGUEAVUIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
百菌清 (CAS 1897-45-6), with molecular formula C8Cl4N2 and molecular weight 263.88 g/mol. IUPAC: 2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile.
Chemical Property Profile of 百菌清
Property Insights of 百菌清
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 百菌清. With a topological polar surface area (TPSA) of 47.6 Ų, 百菌清 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 百菌清 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 百菌清?
The CAS number of 百菌清 is 1897-45-6.
What is the molecular formula of 百菌清?
The molecular formula of 百菌清 is C8Cl4N2.
What is the molecular weight of 百菌清?
The molecular weight of 百菌清 is 263.88 g/mol.
Where can I buy 百菌清?
You can request a quote for 百菌清 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 百菌清?
Yes, KEHONG BIO provides custom synthesis services for 百菌清 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.