2-Chloro-4-phenylbenzonitrile
TL;DR: 2-Chloro-4-phenylbenzonitrile (CAS 6296-78-2) is a chemical compound with molecular formula C13H8ClN and molecular weight 213.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-phenylbenzonitrile
Also Known As: 2-chloro-4-phenylbenzonitrile, 3-Chloro-[1,1'-biphenyl]-4-carbonitrile, 2-chloro-4-phenyl-benzonitrile, 3-Chloro-4-cyanobiphenyl, 3-chlorobiphenyl-4-carbonitrile
| Molecular Formula | C13H8ClN |
|---|---|
| Molecular Weight | 213.03 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.03453 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 6296-78-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=C(C=C2)C#N)Cl |
| InChIKey | IMWQWLRTJSOMIT-UHFFFAOYSA-N |
Product Overview
2-Chloro-4-phenylbenzonitrile (CAS 6296-78-2), with molecular formula C13H8ClN and molecular weight 213.03 g/mol. IUPAC: 2-chloro-4-phenylbenzonitrile.
Chemical Property Profile of 2-Chloro-4-phenylbenzonitrile
Property Insights of 2-Chloro-4-phenylbenzonitrile
The XLogP value of 4.4 indicates that 2-Chloro-4-phenylbenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Chloro-4-phenylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-phenylbenzonitrile 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-Chloro-4-phenylbenzonitrile?
The CAS number of 2-Chloro-4-phenylbenzonitrile is 6296-78-2.
What is the molecular formula of 2-Chloro-4-phenylbenzonitrile?
The molecular formula of 2-Chloro-4-phenylbenzonitrile is C13H8ClN.
What is the molecular weight of 2-Chloro-4-phenylbenzonitrile?
The molecular weight of 2-Chloro-4-phenylbenzonitrile is 213.03 g/mol.
Where can I buy 2-Chloro-4-phenylbenzonitrile?
You can request a quote for 2-Chloro-4-phenylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-phenylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-phenylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.