2-Chloro-5-(trifluoromethyl)benzonitrile
TL;DR: 2-Chloro-5-(trifluoromethyl)benzonitrile (CAS 328-87-0) is a chemical compound with molecular formula C8H3ClF3N and molecular weight 204.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-(trifluoromethyl)benzonitrile
Also Known As: 2-Chloro-5-(trifluoromethyl)benzonitrile, 2-Chloro-5-trifluoromethylbenzonitrile, 4-Chloro-3-cyanobenzotrifluoride, ncr bg exfff, Benzonitrile, 2-chloro-5-(trifluoromethyl)-
| Molecular Formula | C8H3ClF3N |
|---|---|
| Molecular Weight | 204.99 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.99062 |
| Heavy Atoms | 13 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 328-87-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)C#N)Cl |
| InChIKey | LCISFYAQKHOWBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-5-(trifluoromethyl)benzonitrile (CAS 328-87-0), with molecular formula C8H3ClF3N and molecular weight 204.99 g/mol. IUPAC: 2-chloro-5-(trifluoromethyl)benzonitrile.
Chemical Property Profile of 2-Chloro-5-(trifluoromethyl)benzonitrile
Property Insights of 2-Chloro-5-(trifluoromethyl)benzonitrile
The XLogP value of 3.5 indicates that 2-Chloro-5-(trifluoromethyl)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-Chloro-5-(trifluoromethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-5-(trifluoromethyl)benzonitrile has 0 hydrogen bond donor(s) and 4 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-5-(trifluoromethyl)benzonitrile?
The CAS number of 2-Chloro-5-(trifluoromethyl)benzonitrile is 328-87-0.
What is the molecular formula of 2-Chloro-5-(trifluoromethyl)benzonitrile?
The molecular formula of 2-Chloro-5-(trifluoromethyl)benzonitrile is C8H3ClF3N.
What is the molecular weight of 2-Chloro-5-(trifluoromethyl)benzonitrile?
The molecular weight of 2-Chloro-5-(trifluoromethyl)benzonitrile is 204.99 g/mol.
Where can I buy 2-Chloro-5-(trifluoromethyl)benzonitrile?
You can request a quote for 2-Chloro-5-(trifluoromethyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-(trifluoromethyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-(trifluoromethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.