3,4-Dichlorobenzonitrile
TL;DR: 3,4-Dichlorobenzonitrile (CAS 6574-99-8) is a chemical compound with molecular formula C7H3Cl2N and molecular weight 170.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichlorobenzonitrile
Also Known As: 3,4-Dichlorobenzonitrile, Benzonitrile, 3,4-dichloro-, 3,4-dichloro benzonitrile, 3.4-Dichlorobenzonitrile, 3,4-Dichloro-Benzonitrile
| Molecular Formula | C7H3Cl2N |
|---|---|
| Molecular Weight | 170.96 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.96425 |
| Heavy Atoms | 10 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 6574-99-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C#N)Cl)Cl |
| InChIKey | KUWBYWUSERRVQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dichlorobenzonitrile (CAS 6574-99-8), with molecular formula C7H3Cl2N and molecular weight 170.96 g/mol. IUPAC: 3,4-dichlorobenzonitrile.
Chemical Property Profile of 3,4-Dichlorobenzonitrile
Property Insights of 3,4-Dichlorobenzonitrile
The XLogP value of 3.1 indicates that 3,4-Dichlorobenzonitrile 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-Dichlorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorobenzonitrile 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-Dichlorobenzonitrile?
The CAS number of 3,4-Dichlorobenzonitrile is 6574-99-8.
What is the molecular formula of 3,4-Dichlorobenzonitrile?
The molecular formula of 3,4-Dichlorobenzonitrile is C7H3Cl2N.
What is the molecular weight of 3,4-Dichlorobenzonitrile?
The molecular weight of 3,4-Dichlorobenzonitrile is 170.96 g/mol.
Where can I buy 3,4-Dichlorobenzonitrile?
You can request a quote for 3,4-Dichlorobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.