2-Nitrophenethyl alcohol
TL;DR: 2-Nitrophenethyl alcohol (CAS 15121-84-3) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-nitrophenyl)ethanol
Also Known As: 2-Nitrophenethyl alcohol, 2-(2-Nitrophenyl)ethanol, Benzeneethanol, 2-nitro-, 2-Nitrobenzeneethanol, Nitrophenylethanol
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.05824 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05824 Da |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
| Melting Point | 36 °F (NTP, 1992) |
| Boiling Point | 513 °F at 760 mmHg (NTP, 1992) |
| Density | 1.19 (NTP, 1992) - Denser than water; will sink |
| Flash Point | greater than 230 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 81 °F ; 1.5 mmHg at 84 °F; 4.5 mmHg at 124 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| SMILES | C1=CC=C(C(=C1)CCO)[N+](=O)[O-] |
| InChIKey | SLRIOXRBAPBGEI-UHFFFAOYSA-N |
Chemical Property Profile of 2-Nitrophenethyl alcohol
Property Insights of 2-Nitrophenethyl alcohol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrophenethyl alcohol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrophenethyl alcohol. Following Lipinski's Rule of Five, 2-Nitrophenethyl alcohol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Nitrophenethyl alcohol?
The CAS number of 2-Nitrophenethyl alcohol is 15121-84-3.
What is the molecular formula of 2-Nitrophenethyl alcohol?
The molecular formula of 2-Nitrophenethyl alcohol is C8H9NO3.
What is the molecular weight of 2-Nitrophenethyl alcohol?
The molecular weight of 2-Nitrophenethyl alcohol is 167.05824 g/mol.
Where can I buy 2-Nitrophenethyl alcohol?
You can request a quote for 2-Nitrophenethyl alcohol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitrophenethyl alcohol?
Yes, CoreyChem provides custom synthesis services for 2-Nitrophenethyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.