2-(2,4-Dinitrophenyl)acetonitrile
TL;DR: 2-(2,4-Dinitrophenyl)acetonitrile (CAS 57746-44-8) is a chemical compound with molecular formula C8H5N3O4 and molecular weight 207.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitrophenyl)acetonitrile
Also Known As: 2-(2,4-dinitrophenyl)acetonitrile, 2,4-Dinitrophenylacetonitrile, 2,4-Dinitrobenzeneacetonitrile, 2,4-Dinitrobenzene-1-acetonitrile, 2-(2-Amino-4-nitrophenyl)acetic acid
| Molecular Formula | C8H5N3O4 |
|---|---|
| Molecular Weight | 207.03 g/mol |
| LogP | 1.56908 |
| Topological Polar Surface Area | 110.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.028 |
| Heavy Atoms | 15 |
| Complexity | 463.44485 |
Chemical Identifiers
| CAS Number | 57746-44-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CC#N |
Product Overview
2-(2,4-Dinitrophenyl)acetonitrile (CAS 57746-44-8), with molecular formula C8H5N3O4 and molecular weight 207.03 g/mol. IUPAC: 2-(2,4-dinitrophenyl)acetonitrile.
Chemical Property Profile of 2-(2,4-Dinitrophenyl)acetonitrile
Property Insights of 2-(2,4-Dinitrophenyl)acetonitrile
The XLogP value of 1.56908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4-Dinitrophenyl)acetonitrile. The TPSA of 110.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-Dinitrophenyl)acetonitrile. Following Lipinski's Rule of Five, 2-(2,4-Dinitrophenyl)acetonitrile has 0 hydrogen bond donor(s) and 5 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-(2,4-Dinitrophenyl)acetonitrile?
The CAS number of 2-(2,4-Dinitrophenyl)acetonitrile is 57746-44-8.
What is the molecular formula of 2-(2,4-Dinitrophenyl)acetonitrile?
The molecular formula of 2-(2,4-Dinitrophenyl)acetonitrile is C8H5N3O4.
What is the molecular weight of 2-(2,4-Dinitrophenyl)acetonitrile?
The molecular weight of 2-(2,4-Dinitrophenyl)acetonitrile is 207.03 g/mol.
Where can I buy 2-(2,4-Dinitrophenyl)acetonitrile?
You can request a quote for 2-(2,4-Dinitrophenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Dinitrophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dinitrophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.