4-Chloro-1,2-dicyanobenzene
TL;DR: 4-Chloro-1,2-dicyanobenzene (CAS 17654-68-1) is a chemical compound with molecular formula C8H3ClN2 and molecular weight 162.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobenzene-1,2-dicarbonitrile
Also Known As: 4-chlorophthalonitrile, 4-Chloro-1,2-dicyanobenzene, 4-chlorobenzene-1,2-dicarbonitrile, 4-chlorophthalodinitrile, 1,2-Benzenedicarbonitrile, 4-chloro-
| Molecular Formula | C8H3ClN2 |
|---|---|
| Molecular Weight | 162.00 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.99847 |
| Heavy Atoms | 11 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 17654-68-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C#N)C#N |
| InChIKey | SZSLISKYJBQHQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-1,2-dicyanobenzene (CAS 17654-68-1), with molecular formula C8H3ClN2 and molecular weight 162.00 g/mol. IUPAC: 4-chlorobenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-Chloro-1,2-dicyanobenzene
Property Insights of 4-Chloro-1,2-dicyanobenzene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1,2-dicyanobenzene. With a topological polar surface area (TPSA) of 47.6 Ų, 4-Chloro-1,2-dicyanobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1,2-dicyanobenzene 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 4-Chloro-1,2-dicyanobenzene?
The CAS number of 4-Chloro-1,2-dicyanobenzene is 17654-68-1.
What is the molecular formula of 4-Chloro-1,2-dicyanobenzene?
The molecular formula of 4-Chloro-1,2-dicyanobenzene is C8H3ClN2.
What is the molecular weight of 4-Chloro-1,2-dicyanobenzene?
The molecular weight of 4-Chloro-1,2-dicyanobenzene is 162.00 g/mol.
Where can I buy 4-Chloro-1,2-dicyanobenzene?
You can request a quote for 4-Chloro-1,2-dicyanobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1,2-dicyanobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1,2-dicyanobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.