4-Nitrophenethyl alcohol
TL;DR: 4-Nitrophenethyl alcohol (CAS 100-27-6) 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-(4-nitrophenyl)ethanol
Also Known As: 4-Nitrophenethyl alcohol, 2-(4-Nitrophenyl)ethanol, 4-Nitrobenzeneethanol, Benzeneethanol, 4-nitro-, 2-(p-Nitrophenyl)ethanol
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.05824 g/mol |
| XLogP | 1.1 |
| 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 | 147.0 |
| Melting Point | 144 to 147 °F (NTP, 1992) |
| Boiling Point | 351 °F at 16 mmHg (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
| SMILES | C1=CC(=CC=C1CCO)[N+](=O)[O-] |
| InChIKey | IKMXRUOZUUKSON-UHFFFAOYSA-N |
Product Description
Applications: 4-Nitrophenethyl alcohol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 4-Nitrophenethyl alcohol (CAS 100-27-6) has the molecular formula C8H9NO3 and a molecular weight of 167.06 g/mol. Reported properties include a solubility: less than 0.1 mg/mL at 64 °F (NTP, 1992). Synonyms include 4-Nitrophenethyl alcohol and 2-(4-Nitrophenyl)ethanol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Nitrophenethyl alcohol
Property Insights of 4-Nitrophenethyl alcohol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenethyl alcohol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenethyl alcohol. Following Lipinski's Rule of Five, 4-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 4-Nitrophenethyl alcohol?
The CAS number of 4-Nitrophenethyl alcohol is 100-27-6.
What is the molecular formula of 4-Nitrophenethyl alcohol?
The molecular formula of 4-Nitrophenethyl alcohol is C8H9NO3.
What is the molecular weight of 4-Nitrophenethyl alcohol?
The molecular weight of 4-Nitrophenethyl alcohol is 167.05824 g/mol.
What are the applications of 4-Nitrophenethyl alcohol?
4-Nitrophenethyl alcohol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 4-Nitrophenethyl alcohol?
You can request a quote for 4-Nitrophenethyl alcohol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitrophenethyl alcohol?
Yes, CoreyChem provides custom synthesis services for 4-Nitrophenethyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.