3-Chloro-4-fluorobenzyl cyanide
TL;DR: 3-Chloro-4-fluorobenzyl cyanide (CAS 658-98-0) 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-(3-chloro-4-fluorophenyl)acetonitrile
Also Known As: 3-Chloro-4-Fluorophenylacetonitrile, 3-chloro-4-fluorobenzyl cyanide, 2-(3-chloro-4-fluorophenyl)acetonitrile, 6-chloro-5-fluoroindole, 3-Chloro-4-fluoro benzeneacetonitrile
| 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 | 658-98-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC#N)Cl)F |
Product Overview
3-Chloro-4-fluorobenzyl cyanide (CAS 658-98-0), with molecular formula C8H5ClFN and molecular weight 169.01 g/mol. IUPAC: 2-(3-chloro-4-fluorophenyl)acetonitrile.
Chemical Property Profile of 3-Chloro-4-fluorobenzyl cyanide
Property Insights of 3-Chloro-4-fluorobenzyl cyanide
The XLogP value of 2.54518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-fluorobenzyl cyanide. With a topological polar surface area (TPSA) of 23.79 Ų, 3-Chloro-4-fluorobenzyl cyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-fluorobenzyl cyanide 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 3-Chloro-4-fluorobenzyl cyanide?
The CAS number of 3-Chloro-4-fluorobenzyl cyanide is 658-98-0.
What is the molecular formula of 3-Chloro-4-fluorobenzyl cyanide?
The molecular formula of 3-Chloro-4-fluorobenzyl cyanide is C8H5ClFN.
What is the molecular weight of 3-Chloro-4-fluorobenzyl cyanide?
The molecular weight of 3-Chloro-4-fluorobenzyl cyanide is 169.01 g/mol.
Where can I buy 3-Chloro-4-fluorobenzyl cyanide?
You can request a quote for 3-Chloro-4-fluorobenzyl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-fluorobenzyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-fluorobenzyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.