2-(Trichloromethyl)benzonitrile
TL;DR: 2-(Trichloromethyl)benzonitrile (CAS 2635-68-9) is a chemical compound with molecular formula C8H4Cl3N and molecular weight 218.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trichloromethyl)benzonitrile
Also Known As: 2-(trichloromethyl)benzonitrile, 2-trichloromethylbenzonitrile, 2- BENZONITRILE, Benzonitrile, 2-(trichloromethyl)-, Benzonitrile,2-(trichloromethyl)-
| Molecular Formula | C8H4Cl3N |
|---|---|
| Molecular Weight | 218.94 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.94093 |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 2635-68-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)C(Cl)(Cl)Cl |
| InChIKey | GBKJYWAWSNXSIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Trichloromethyl)benzonitrile (CAS 2635-68-9), with molecular formula C8H4Cl3N and molecular weight 218.94 g/mol. IUPAC: 2-(trichloromethyl)benzonitrile.
Chemical Property Profile of 2-(Trichloromethyl)benzonitrile
Property Insights of 2-(Trichloromethyl)benzonitrile
The XLogP value of 3.5 indicates that 2-(Trichloromethyl)benzonitrile 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-(Trichloromethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trichloromethyl)benzonitrile 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-(Trichloromethyl)benzonitrile?
The CAS number of 2-(Trichloromethyl)benzonitrile is 2635-68-9.
What is the molecular formula of 2-(Trichloromethyl)benzonitrile?
The molecular formula of 2-(Trichloromethyl)benzonitrile is C8H4Cl3N.
What is the molecular weight of 2-(Trichloromethyl)benzonitrile?
The molecular weight of 2-(Trichloromethyl)benzonitrile is 218.94 g/mol.
Where can I buy 2-(Trichloromethyl)benzonitrile?
You can request a quote for 2-(Trichloromethyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trichloromethyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trichloromethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.