(2,6-Dichlorophenyl)acetonitrile
TL;DR: (2,6-Dichlorophenyl)acetonitrile (CAS 3215-64-3) is a chemical compound with molecular formula C8H5Cl2N and molecular weight 184.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6-dichlorophenyl)acetonitrile
Also Known As: 2,6-Dichlorophenylacetonitrile, 2,6-Dichlorobenzyl cyanide, 2-(2,6-dichlorophenyl)acetonitrile, (2,6-Dichlorophenyl)acetonitrile, 2,6-Dichlorobenzeneacetonitrile
| Molecular Formula | C8H5Cl2N |
|---|---|
| Molecular Weight | 184.98 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 | 184.9799 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 3215-64-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CC#N)Cl |
| InChIKey | AOEJUUCUKRUCEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,6-Dichlorophenyl)acetonitrile (CAS 3215-64-3), with molecular formula C8H5Cl2N and molecular weight 184.98 g/mol. IUPAC: 2-(2,6-dichlorophenyl)acetonitrile.
Chemical Property Profile of (2,6-Dichlorophenyl)acetonitrile
Property Insights of (2,6-Dichlorophenyl)acetonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,6-Dichlorophenyl)acetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, (2,6-Dichlorophenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,6-Dichlorophenyl)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 (2,6-Dichlorophenyl)acetonitrile?
The CAS number of (2,6-Dichlorophenyl)acetonitrile is 3215-64-3.
What is the molecular formula of (2,6-Dichlorophenyl)acetonitrile?
The molecular formula of (2,6-Dichlorophenyl)acetonitrile is C8H5Cl2N.
What is the molecular weight of (2,6-Dichlorophenyl)acetonitrile?
The molecular weight of (2,6-Dichlorophenyl)acetonitrile is 184.98 g/mol.
Where can I buy (2,6-Dichlorophenyl)acetonitrile?
You can request a quote for (2,6-Dichlorophenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,6-Dichlorophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2,6-Dichlorophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.