2,4-Dichloro-6-methylbenzonitrile
TL;DR: 2,4-Dichloro-6-methylbenzonitrile (CAS 175277-98-2) 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-dichloro-6-methylbenzonitrile
Also Known As: 2,4-dichloro-6-methylbenzonitrile, Benzonitrile, 2,4-dichloro-6-methyl-, 4,6-Dichloro-o-tolunitrile, 24-Dichloro-6-methylbenzonitrile, 2,4-dichloro-6-methyl-benzonitrile
| Molecular Formula | C8H5Cl2N |
|---|---|
| Molecular Weight | 184.98 g/mol |
| LogP | 3.1735 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.9799 |
| Heavy Atoms | 11 |
| Complexity | 302.34933 |
Chemical Identifiers
| CAS Number | 175277-98-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C#N)Cl)Cl |
Product Overview
2,4-Dichloro-6-methylbenzonitrile (CAS 175277-98-2), with molecular formula C8H5Cl2N and molecular weight 184.98 g/mol. IUPAC: 2,4-dichloro-6-methylbenzonitrile.
Chemical Property Profile of 2,4-Dichloro-6-methylbenzonitrile
Property Insights of 2,4-Dichloro-6-methylbenzonitrile
The XLogP value of 3.1735 indicates that 2,4-Dichloro-6-methylbenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 2,4-Dichloro-6-methylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichloro-6-methylbenzonitrile 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-Dichloro-6-methylbenzonitrile?
The CAS number of 2,4-Dichloro-6-methylbenzonitrile is 175277-98-2.
What is the molecular formula of 2,4-Dichloro-6-methylbenzonitrile?
The molecular formula of 2,4-Dichloro-6-methylbenzonitrile is C8H5Cl2N.
What is the molecular weight of 2,4-Dichloro-6-methylbenzonitrile?
The molecular weight of 2,4-Dichloro-6-methylbenzonitrile is 184.98 g/mol.
Where can I buy 2,4-Dichloro-6-methylbenzonitrile?
You can request a quote for 2,4-Dichloro-6-methylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichloro-6-methylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichloro-6-methylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.