(4-Chloro-2-fluoro-phenyl)-acetonitrile
TL;DR: (4-Chloro-2-fluoro-phenyl)-acetonitrile (CAS 25513-46-6) is a chemical compound with molecular formula C8H5ClFN and molecular weight 169.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-fluorophenyl)acetonitrile
Also Known As: 4-Chloro-2-fluorophenylacetonitrile, 2-(4-chloro-2-fluorophenyl)acetonitrile, 4-chloro-2-fluorobenzeneacetonitrile, 4-Chloro-2-fluorobenzyl cyanide, 2-Fluoro-4-chlorobenzyl cyanide
| Molecular Formula | C8H5ClFN |
|---|---|
| Molecular Weight | 169.01 g/mol |
| LogP | 2.54518 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.00946 |
| Heavy Atoms | 11 |
| Complexity | 303.45062 |
Chemical Identifiers
| CAS Number | 25513-46-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)F)CC#N |
Product Overview
(4-Chloro-2-fluoro-phenyl)-acetonitrile (CAS 25513-46-6), with molecular formula C8H5ClFN and molecular weight 169.01 g/mol. IUPAC: 2-(4-chloro-2-fluorophenyl)acetonitrile.
Chemical Property Profile of (4-Chloro-2-fluoro-phenyl)-acetonitrile
Property Insights of (4-Chloro-2-fluoro-phenyl)-acetonitrile
The XLogP value of 2.54518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Chloro-2-fluoro-phenyl)-acetonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, (4-Chloro-2-fluoro-phenyl)-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chloro-2-fluoro-phenyl)-acetonitrile 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 (4-Chloro-2-fluoro-phenyl)-acetonitrile?
The CAS number of (4-Chloro-2-fluoro-phenyl)-acetonitrile is 25513-46-6.
What is the molecular formula of (4-Chloro-2-fluoro-phenyl)-acetonitrile?
The molecular formula of (4-Chloro-2-fluoro-phenyl)-acetonitrile is C8H5ClFN.
What is the molecular weight of (4-Chloro-2-fluoro-phenyl)-acetonitrile?
The molecular weight of (4-Chloro-2-fluoro-phenyl)-acetonitrile is 169.01 g/mol.
Where can I buy (4-Chloro-2-fluoro-phenyl)-acetonitrile?
You can request a quote for (4-Chloro-2-fluoro-phenyl)-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chloro-2-fluoro-phenyl)-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Chloro-2-fluoro-phenyl)-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.