2-(4-Chlorophenyl)propiononitrile
TL;DR: 2-(4-Chlorophenyl)propiononitrile (CAS 2184-88-5) is a chemical compound with molecular formula C9H8ClN and molecular weight 165.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)propanenitrile
Also Known As: 2-(4-chlorophenyl)propanenitrile, 4-Chloro-alpha-methylphenylacetonitrile, 2-(4-Chlorophenyl)propiononitrile, 2-(4-chlorophenyl)propionitrile, 2-(4'-chlorophenyl)-propionitrile
| Molecular Formula | C9H8ClN |
|---|---|
| Molecular Weight | 165.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.03453 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 2184-88-5 |
|---|---|
| SMILES | CC(C#N)C1=CC=C(C=C1)Cl |
| InChIKey | GIZHRKQXPROIGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Chlorophenyl)propiononitrile (CAS 2184-88-5), with molecular formula C9H8ClN and molecular weight 165.03 g/mol. IUPAC: 2-(4-chlorophenyl)propanenitrile.
Chemical Property Profile of 2-(4-Chlorophenyl)propiononitrile
Property Insights of 2-(4-Chlorophenyl)propiononitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)propiononitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-(4-Chlorophenyl)propiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)propiononitrile 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-(4-Chlorophenyl)propiononitrile?
The CAS number of 2-(4-Chlorophenyl)propiononitrile is 2184-88-5.
What is the molecular formula of 2-(4-Chlorophenyl)propiononitrile?
The molecular formula of 2-(4-Chlorophenyl)propiononitrile is C9H8ClN.
What is the molecular weight of 2-(4-Chlorophenyl)propiononitrile?
The molecular weight of 2-(4-Chlorophenyl)propiononitrile is 165.03 g/mol.
Where can I buy 2-(4-Chlorophenyl)propiononitrile?
You can request a quote for 2-(4-Chlorophenyl)propiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)propiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.