1,4-Benzenedicarbonitrile, 2-chloro-
TL;DR: 1,4-Benzenedicarbonitrile, 2-chloro- (CAS 1897-47-8) 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.
2-chlorobenzene-1,4-dicarbonitrile
Also Known As: Chloroterephthalonitrile, 2-Chloroterephthalonitrile, 2-Chloroterephthalodinitrile, 2-chlorobenzene-1,4-dicarbonitrile, Terephthalonitrile, chloro-
| Molecular Formula | C8H3ClN2 |
|---|---|
| Molecular Weight | 162.00 g/mol |
| LogP | 1.7 |
| 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 | 1897-47-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C#N)Cl)C#N |
| InChIKey | FUXVXOPFTHRBNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzenedicarbonitrile, 2-chloro- (CAS 1897-47-8), with molecular formula C8H3ClN2 and molecular weight 162.00 g/mol. IUPAC: 2-chlorobenzene-1,4-dicarbonitrile.
Chemical Property Profile of 1,4-Benzenedicarbonitrile, 2-chloro-
Property Insights of 1,4-Benzenedicarbonitrile, 2-chloro-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenedicarbonitrile, 2-chloro-. With a topological polar surface area (TPSA) of 47.6 Ų, 1,4-Benzenedicarbonitrile, 2-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenedicarbonitrile, 2-chloro- 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-chloro-?
The CAS number of 1,4-Benzenedicarbonitrile, 2-chloro- is 1897-47-8.
What is the molecular formula of 1,4-Benzenedicarbonitrile, 2-chloro-?
The molecular formula of 1,4-Benzenedicarbonitrile, 2-chloro- is C8H3ClN2.
What is the molecular weight of 1,4-Benzenedicarbonitrile, 2-chloro-?
The molecular weight of 1,4-Benzenedicarbonitrile, 2-chloro- is 162.00 g/mol.
Where can I buy 1,4-Benzenedicarbonitrile, 2-chloro-?
You can request a quote for 1,4-Benzenedicarbonitrile, 2-chloro- 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-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedicarbonitrile, 2-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.