2-Nitrobenzyl alcohol
TL;DR: 2-Nitrobenzyl alcohol (CAS 612-25-9) is a chemical compound with molecular formula C7H7NO3 and molecular weight 153.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-nitrophenyl)methanol
Also Known As: 2-Nitrobenzyl alcohol, (2-Nitrophenyl)methanol, 2-Nitrobenzenemethanol, O-NITROBENZYL ALCOHOL, Benzenemethanol, 2-nitro-
| Molecular Formula | C7H7NO3 |
|---|---|
| Molecular Weight | 153.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.04259 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
| Vapor Pressure | 0.0000858 [mmHg] |
Chemical Identifiers
| CAS Number | 612-25-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CO)[N+](=O)[O-] |
| InChIKey | BWRBVBFLFQKBPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitrobenzyl alcohol (CAS 612-25-9), with molecular formula C7H7NO3 and molecular weight 153.04 g/mol. IUPAC: (2-nitrophenyl)methanol.
Chemical Property Profile of 2-Nitrobenzyl alcohol
Property Insights of 2-Nitrobenzyl alcohol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrobenzyl alcohol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrobenzyl alcohol. Following Lipinski's Rule of Five, 2-Nitrobenzyl 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
Frequently Asked Questions
What is the CAS number of 2-Nitrobenzyl alcohol?
The CAS number of 2-Nitrobenzyl alcohol is 612-25-9.
What is the molecular formula of 2-Nitrobenzyl alcohol?
The molecular formula of 2-Nitrobenzyl alcohol is C7H7NO3.
What is the molecular weight of 2-Nitrobenzyl alcohol?
The molecular weight of 2-Nitrobenzyl alcohol is 153.04 g/mol.
Where can I buy 2-Nitrobenzyl alcohol?
You can request a quote for 2-Nitrobenzyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrobenzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrobenzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.