2-Chloro-6-methylbenzonitrile
TL;DR: 2-Chloro-6-methylbenzonitrile (CAS 6575-09-3) is a chemical compound with molecular formula C8H6ClN and molecular weight 151.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-methylbenzonitrile
Also Known As: 2-CHLORO-6-METHYLBENZONITRILE, 2-Cyano-3-chlorotoluene, 3-Chloro-2-toluonitrile, o-Tolunitrile, 6-chloro-, Benzonitrile, 2-chloro-6-methyl-
| Molecular Formula | C8H6ClN |
|---|---|
| Molecular Weight | 151.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.01888 |
| Heavy Atoms | 10 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 6575-09-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)C#N |
| InChIKey | WQWQHJNUHQEGTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-6-methylbenzonitrile (CAS 6575-09-3), with molecular formula C8H6ClN and molecular weight 151.02 g/mol. IUPAC: 2-chloro-6-methylbenzonitrile.
Chemical Property Profile of 2-Chloro-6-methylbenzonitrile
Property Insights of 2-Chloro-6-methylbenzonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-methylbenzonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Chloro-6-methylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-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-Chloro-6-methylbenzonitrile?
The CAS number of 2-Chloro-6-methylbenzonitrile is 6575-09-3.
What is the molecular formula of 2-Chloro-6-methylbenzonitrile?
The molecular formula of 2-Chloro-6-methylbenzonitrile is C8H6ClN.
What is the molecular weight of 2-Chloro-6-methylbenzonitrile?
The molecular weight of 2-Chloro-6-methylbenzonitrile is 151.02 g/mol.
Where can I buy 2-Chloro-6-methylbenzonitrile?
You can request a quote for 2-Chloro-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-Chloro-6-methylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-methylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.