4,5-Dichlorophthalonitrile
TL;DR: 4,5-Dichlorophthalonitrile (CAS 139152-08-2) is a chemical compound with molecular formula C8H2Cl2N2 and molecular weight 195.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichlorobenzene-1,2-dicarbonitrile
Also Known As: 4,5-Dichlorophthalonitrile, 4,5-dichlorobenzene-1,2-dicarbonitrile, 1,2-Dichloro-4,5-dicyanobenzene, 4,5-Dichlorophthalodinitrile, Intermediates-ZCF02070
| Molecular Formula | C8H2Cl2N2 |
|---|---|
| Molecular Weight | 195.96 g/mol |
| LogP | 2.73676 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.9595 |
| Heavy Atoms | 12 |
| Complexity | 359.7445 |
Chemical Identifiers
| CAS Number | 139152-08-2 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)C#N)C#N |
Product Overview
4,5-Dichlorophthalonitrile (CAS 139152-08-2), with molecular formula C8H2Cl2N2 and molecular weight 195.96 g/mol. IUPAC: 4,5-dichlorobenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4,5-Dichlorophthalonitrile
Property Insights of 4,5-Dichlorophthalonitrile
The XLogP value of 2.73676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dichlorophthalonitrile. With a topological polar surface area (TPSA) of 47.58 Ų, 4,5-Dichlorophthalonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dichlorophthalonitrile 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 4,5-Dichlorophthalonitrile?
The CAS number of 4,5-Dichlorophthalonitrile is 139152-08-2.
What is the molecular formula of 4,5-Dichlorophthalonitrile?
The molecular formula of 4,5-Dichlorophthalonitrile is C8H2Cl2N2.
What is the molecular weight of 4,5-Dichlorophthalonitrile?
The molecular weight of 4,5-Dichlorophthalonitrile is 195.96 g/mol.
Where can I buy 4,5-Dichlorophthalonitrile?
You can request a quote for 4,5-Dichlorophthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dichlorophthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dichlorophthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.