2,4-Dichlorobenzonitrile
TL;DR: 2,4-Dichlorobenzonitrile (CAS 6574-98-7) 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.
2,4-dichlorobenzonitrile
Also Known As: 2,4-Dichlorobenzonitrile, Benzonitrile, 2,4-dichloro-, 2,4-dichloro-benzonitrile, Furosemide Impurity 58, 2,4-dichloro benzonitrile
| Molecular Formula | C7H3Cl2N |
|---|---|
| Molecular Weight | 170.96 g/mol |
| LogP | 2.6 |
| 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 | 160.0 |
Chemical Identifiers
| CAS Number | 6574-98-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C#N |
| InChIKey | GRUHREVRSOOQJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dichlorobenzonitrile (CAS 6574-98-7), with molecular formula C7H3Cl2N and molecular weight 170.96 g/mol. IUPAC: 2,4-dichlorobenzonitrile.
Chemical Property Profile of 2,4-Dichlorobenzonitrile
Property Insights of 2,4-Dichlorobenzonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dichlorobenzonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2,4-Dichlorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichlorobenzonitrile 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 2,4-Dichlorobenzonitrile?
The CAS number of 2,4-Dichlorobenzonitrile is 6574-98-7.
What is the molecular formula of 2,4-Dichlorobenzonitrile?
The molecular formula of 2,4-Dichlorobenzonitrile is C7H3Cl2N.
What is the molecular weight of 2,4-Dichlorobenzonitrile?
The molecular weight of 2,4-Dichlorobenzonitrile is 170.96 g/mol.
Where can I buy 2,4-Dichlorobenzonitrile?
You can request a quote for 2,4-Dichlorobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichlorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichlorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.