(3,4-Dichlorophenyl)acetonitrile
TL;DR: (3,4-Dichlorophenyl)acetonitrile (CAS 3218-49-3) 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-(3,4-dichlorophenyl)acetonitrile
Also Known As: 3,4-Dichlorophenylacetonitrile, 2-(3,4-dichlorophenyl)acetonitrile, 3,4-Dichlorobenzyl cyanide, (3,4-Dichlorophenyl)acetonitrile, 3,4-dichlorobenzylcyanide
| Molecular Formula | C8H5Cl2N |
|---|---|
| Molecular Weight | 184.98 g/mol |
| LogP | 3.3 |
| 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 | 172.0 |
Chemical Identifiers
| CAS Number | 3218-49-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC#N)Cl)Cl |
| InChIKey | QWZNCAFWRZZJMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3,4-Dichlorophenyl)acetonitrile (CAS 3218-49-3), with molecular formula C8H5Cl2N and molecular weight 184.98 g/mol. IUPAC: 2-(3,4-dichlorophenyl)acetonitrile.
Chemical Property Profile of (3,4-Dichlorophenyl)acetonitrile
Property Insights of (3,4-Dichlorophenyl)acetonitrile
The XLogP value of 3.3 indicates that (3,4-Dichlorophenyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, (3,4-Dichlorophenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,4-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 (3,4-Dichlorophenyl)acetonitrile?
The CAS number of (3,4-Dichlorophenyl)acetonitrile is 3218-49-3.
What is the molecular formula of (3,4-Dichlorophenyl)acetonitrile?
The molecular formula of (3,4-Dichlorophenyl)acetonitrile is C8H5Cl2N.
What is the molecular weight of (3,4-Dichlorophenyl)acetonitrile?
The molecular weight of (3,4-Dichlorophenyl)acetonitrile is 184.98 g/mol.
Where can I buy (3,4-Dichlorophenyl)acetonitrile?
You can request a quote for (3,4-Dichlorophenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-Dichlorophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (3,4-Dichlorophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.