敌草腈
TL;DR: 敌草腈 (CAS 1194-65-6) is a chemical compound with molecular formula C7H3Cl2N and molecular weight 170.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
敌草腈
2,6-dichlorobenzonitrile
Also Known As: 2,6-Dichlorobenzonitrile, dichlobenil, Casoron, Dichlobanil, Surfassol
| Molecular Formula | C7H3Cl2N |
|---|---|
| Molecular Weight | 170.96 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.96425 |
| Heavy Atoms | 10 |
| Complexity | 150.0 |
| Melting Point | 293 to 146.0 °C |
| Boiling Point | 270.0 °C at 760 mmHg |
| Density | 1.3 g/cm³ |
| Solubility | In water, 14.6 mg/L at 20 °C |
| Flash Point | Not Applicable. Not flammable. |
| Vapor Pressure | 20.94 mmHg at 104.4 °C |
Chemical Identifiers
| CAS Number | 1194-65-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C#N)Cl |
| InChIKey | YOYAIZYFCNQIRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
敌草腈 (CAS 1194-65-6), with molecular formula C7H3Cl2N and molecular weight 170.96 g/mol. IUPAC: 2,6-dichlorobenzonitrile.
Chemical Property Profile of 敌草腈
Property Insights of 敌草腈
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 敌草腈. With a topological polar surface area (TPSA) of 23.8 Ų, 敌草腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-二氯苯甲腈 has 0 hydrogen bond donor(s) and 1 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 2,6-二氯苯甲腈?
The CAS number of 2,6-二氯苯甲腈 is 1194-65-6.
What is the molecular formula of 2,6-二氯苯甲腈?
The molecular formula of 2,6-二氯苯甲腈 is C7H3Cl2N.
What is the molecular weight of 2,6-二氯苯甲腈?
The molecular weight of 2,6-二氯苯甲腈 is 170.96 g/mol.
Where can I buy 2,6-二氯苯甲腈?
You can request a quote for 2,6-二氯苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-二氯苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2,6-二氯苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.