(o-Chlorophenyl)acetonitrile
TL;DR: (o-Chlorophenyl)acetonitrile (CAS 2856-63-5) is a chemical compound with molecular formula C8H6ClN and molecular weight 151.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenyl)acetonitrile
Also Known As: 2-Chlorobenzyl cyanide, 2-(2-chlorophenyl)acetonitrile, 2-Chlorophenylacetonitrile, o-Chlorobenzyl cyanide, Benzeneacetonitrile, 2-chloro-
| Molecular Formula | C8H6ClN |
|---|---|
| Molecular Weight | 151.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.01888 |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 2856-63-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC#N)Cl |
| InChIKey | MRDUURPIPLIGQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(o-Chlorophenyl)acetonitrile (CAS 2856-63-5), with molecular formula C8H6ClN and molecular weight 151.02 g/mol. IUPAC: 2-(2-chlorophenyl)acetonitrile.
Chemical Property Profile of (o-Chlorophenyl)acetonitrile
Property Insights of (o-Chlorophenyl)acetonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (o-Chlorophenyl)acetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, (o-Chlorophenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (o-Chlorophenyl)acetonitrile 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 (o-Chlorophenyl)acetonitrile?
The CAS number of (o-Chlorophenyl)acetonitrile is 2856-63-5.
What is the molecular formula of (o-Chlorophenyl)acetonitrile?
The molecular formula of (o-Chlorophenyl)acetonitrile is C8H6ClN.
What is the molecular weight of (o-Chlorophenyl)acetonitrile?
The molecular weight of (o-Chlorophenyl)acetonitrile is 151.02 g/mol.
Where can I buy (o-Chlorophenyl)acetonitrile?
You can request a quote for (o-Chlorophenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (o-Chlorophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (o-Chlorophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.