alpha,3-Dichloro-2-methylbenzenepropanenitrile
TL;DR: alpha,3-Dichloro-2-methylbenzenepropanenitrile (CAS 21342-85-8) is a chemical compound with molecular formula C10H9Cl2N and molecular weight 213.0112 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-3-(3-chloro-2-methylphenyl)propanenitrile
Also Known As: ORTHONIL, CCTP, Bi-Act, Sti-Por, PRB 8
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H9Cl2N |
| Molecular Weight | 213.0112 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.0112 Da |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
| SMILES | CC1=C(C=CC=C1Cl)CC(C#N)Cl |
| InChIKey | YYJUXSGXHHPBTK-UHFFFAOYSA-N |
Chemical Property Profile of alpha,3-Dichloro-2-methylbenzenepropanenitrile
Property Insights of alpha,3-Dichloro-2-methylbenzenepropanenitrile
The XLogP value of 3.6 indicates that alpha,3-Dichloro-2-methylbenzenepropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, alpha,3-Dichloro-2-methylbenzenepropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,3-Dichloro-2-methylbenzenepropanenitrile 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
What is the CAS number of alpha,3-Dichloro-2-methylbenzenepropanenitrile?
The CAS number of alpha,3-Dichloro-2-methylbenzenepropanenitrile is 21342-85-8.
What is the molecular formula of alpha,3-Dichloro-2-methylbenzenepropanenitrile?
The molecular formula of alpha,3-Dichloro-2-methylbenzenepropanenitrile is C10H9Cl2N.
What is the molecular weight of alpha,3-Dichloro-2-methylbenzenepropanenitrile?
The molecular weight of alpha,3-Dichloro-2-methylbenzenepropanenitrile is 213.0112 g/mol.
Where can I buy alpha,3-Dichloro-2-methylbenzenepropanenitrile?
You can request a quote for alpha,3-Dichloro-2-methylbenzenepropanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha,3-Dichloro-2-methylbenzenepropanenitrile?
Yes, CoreyChem provides custom synthesis services for alpha,3-Dichloro-2-methylbenzenepropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.