2-Nitrophenylacetonitrile
TL;DR: 2-Nitrophenylacetonitrile (CAS 610-66-2) is a chemical compound with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitrophenyl)acetonitrile
Also Known As: 2-Nitrophenylacetonitrile, 2-(2-nitrophenyl)acetonitrile, 2-Nitrobenzyl Cyanide, (2-Nitrophenyl)acetonitrile, o-Nitrobenzacetonitrile
| Molecular Formula | C8H6N2O2 |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.04292 |
| Heavy Atoms | 12 |
| Complexity | 213.0 |
| Melting Point | 83.9 °C |
| Boiling Point | 177.8 °C at 12 mmHg |
| Solubility | less than 0.1 mg/mL at 68 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 610-66-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC#N)[N+](=O)[O-] |
| InChIKey | YPRFCQAWSNWRLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitrophenylacetonitrile (CAS 610-66-2), with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol. IUPAC: 2-(2-nitrophenyl)acetonitrile.
Chemical Property Profile of 2-Nitrophenylacetonitrile
Property Insights of 2-Nitrophenylacetonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrophenylacetonitrile. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrophenylacetonitrile. Following Lipinski's Rule of Five, 2-Nitrophenylacetonitrile has 0 hydrogen bond donor(s) and 3 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-Nitrophenylacetonitrile?
The CAS number of 2-Nitrophenylacetonitrile is 610-66-2.
What is the molecular formula of 2-Nitrophenylacetonitrile?
The molecular formula of 2-Nitrophenylacetonitrile is C8H6N2O2.
What is the molecular weight of 2-Nitrophenylacetonitrile?
The molecular weight of 2-Nitrophenylacetonitrile is 162.04 g/mol.
Where can I buy 2-Nitrophenylacetonitrile?
You can request a quote for 2-Nitrophenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.