2-Chloro-3-(trifluoromethyl)phenylacetonitrile
TL;DR: 2-Chloro-3-(trifluoromethyl)phenylacetonitrile (CAS 22902-81-4) is a chemical compound with molecular formula C9H5ClF3N and molecular weight 219.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-3-(trifluoromethyl)phenyl]acetonitrile
Also Known As: 2-Chloro-3-(trifluoromethyl)phenylacetonitrile, 2-[2-chloro-3-(trifluoromethyl)phenyl]acetonitrile, 2-(2-Chloro-3-(trifluoromethyl)phenyl)acetonitrile, Benzeneacetonitrile, 2-chloro-3-(trifluoromethyl)-, [2-chloro-3-(trifluoromethyl)phenyl]acetonitrile
| Molecular Formula | C9H5ClF3N |
|---|---|
| Molecular Weight | 219.01 g/mol |
| LogP | 3.42488 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.00626 |
| Heavy Atoms | 14 |
| Complexity | 378.62396 |
Chemical Identifiers
| CAS Number | 22902-81-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)C(F)(F)F)Cl)CC#N |
Product Overview
2-Chloro-3-(trifluoromethyl)phenylacetonitrile (CAS 22902-81-4), with molecular formula C9H5ClF3N and molecular weight 219.01 g/mol. IUPAC: 2-[2-chloro-3-(trifluoromethyl)phenyl]acetonitrile.
Chemical Property Profile of 2-Chloro-3-(trifluoromethyl)phenylacetonitrile
Property Insights of 2-Chloro-3-(trifluoromethyl)phenylacetonitrile
The XLogP value of 3.42488 indicates that 2-Chloro-3-(trifluoromethyl)phenylacetonitrile 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-Chloro-3-(trifluoromethyl)phenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(trifluoromethyl)phenylacetonitrile 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-3-(trifluoromethyl)phenylacetonitrile?
The CAS number of 2-Chloro-3-(trifluoromethyl)phenylacetonitrile is 22902-81-4.
What is the molecular formula of 2-Chloro-3-(trifluoromethyl)phenylacetonitrile?
The molecular formula of 2-Chloro-3-(trifluoromethyl)phenylacetonitrile is C9H5ClF3N.
What is the molecular weight of 2-Chloro-3-(trifluoromethyl)phenylacetonitrile?
The molecular weight of 2-Chloro-3-(trifluoromethyl)phenylacetonitrile is 219.01 g/mol.
Where can I buy 2-Chloro-3-(trifluoromethyl)phenylacetonitrile?
You can request a quote for 2-Chloro-3-(trifluoromethyl)phenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-(trifluoromethyl)phenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(trifluoromethyl)phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.