1,4-Benzenedicarbonitrile, 2,5-dichloro-
TL;DR: 1,4-Benzenedicarbonitrile, 2,5-dichloro- (CAS 1897-43-4) 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.
2,5-dichlorobenzene-1,4-dicarbonitrile
Also Known As: 2,5-Dichloroterephthalonitrile, 1,4-Benzenedicarbonitrile, 2,5-dichloro-, 2,5-dichlorobenzene-1,4-dicarbonitrile, 25-Dichloroterephthalonitrile, 1,4-Dichloro-2,5-dicyanobenzene
| Molecular Formula | C8H2Cl2N2 |
|---|---|
| Molecular Weight | 195.96 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.9595 |
| Heavy Atoms | 12 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 1897-43-4 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)C#N)Cl)C#N |
| InChIKey | UCRQGBRIGDKUAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzenedicarbonitrile, 2,5-dichloro- (CAS 1897-43-4), with molecular formula C8H2Cl2N2 and molecular weight 195.96 g/mol. IUPAC: 2,5-dichlorobenzene-1,4-dicarbonitrile.
Chemical Property Profile of 1,4-Benzenedicarbonitrile, 2,5-dichloro-
Property Insights of 1,4-Benzenedicarbonitrile, 2,5-dichloro-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenedicarbonitrile, 2,5-dichloro-. With a topological polar surface area (TPSA) of 47.6 Ų, 1,4-Benzenedicarbonitrile, 2,5-dichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenedicarbonitrile, 2,5-dichloro- 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 1,4-Benzenedicarbonitrile, 2,5-dichloro-?
The CAS number of 1,4-Benzenedicarbonitrile, 2,5-dichloro- is 1897-43-4.
What is the molecular formula of 1,4-Benzenedicarbonitrile, 2,5-dichloro-?
The molecular formula of 1,4-Benzenedicarbonitrile, 2,5-dichloro- is C8H2Cl2N2.
What is the molecular weight of 1,4-Benzenedicarbonitrile, 2,5-dichloro-?
The molecular weight of 1,4-Benzenedicarbonitrile, 2,5-dichloro- is 195.96 g/mol.
Where can I buy 1,4-Benzenedicarbonitrile, 2,5-dichloro-?
You can request a quote for 1,4-Benzenedicarbonitrile, 2,5-dichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenedicarbonitrile, 2,5-dichloro-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedicarbonitrile, 2,5-dichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.