2,4-二氯苯乙腈
TL;DR: 2,4-二氯苯乙腈 (CAS 6306-60-1) 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.
2,4-二氯苯乙腈
2-(2,4-dichlorophenyl)acetonitrile
Also Known As: 2,4-Dichlorophenylacetonitrile, 2,4-Dichlorobenzyl cyanide, 2-(2,4-Dichlorophenyl)acetonitrile, Benzeneacetonitrile, 2,4-dichloro-, (2,4-Dichlorophenyl)acetonitrile
| Molecular Formula | C8H5Cl2N |
|---|---|
| Molecular Weight | 184.98 g/mol |
| LogP | 3.1 |
| 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 | 6306-60-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)CC#N |
| InChIKey | VJARIBGMDPJLCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-二氯苯乙腈 (CAS 6306-60-1), with molecular formula C8H5Cl2N and molecular weight 184.98 g/mol. IUPAC: 2-(2,4-dichlorophenyl)acetonitrile.
Chemical Property Profile of 2,4-二氯苯乙腈
Property Insights of 2,4-二氯苯乙腈
The XLogP value of 3.1 indicates that 2,4-二氯苯乙腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2,4-二氯苯乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-二氯苯乙腈 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 2,4-二氯苯乙腈?
The CAS number of 2,4-二氯苯乙腈 is 6306-60-1.
What is the molecular formula of 2,4-二氯苯乙腈?
The molecular formula of 2,4-二氯苯乙腈 is C8H5Cl2N.
What is the molecular weight of 2,4-二氯苯乙腈?
The molecular weight of 2,4-二氯苯乙腈 is 184.98 g/mol.
Where can I buy 2,4-二氯苯乙腈?
You can request a quote for 2,4-二氯苯乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-二氯苯乙腈?
Yes, KEHONG BIO provides custom synthesis services for 2,4-二氯苯乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.