4-Chloro-2-nitrobenzyl alcohol
TL;DR: 4-Chloro-2-nitrobenzyl alcohol (CAS 22996-18-5) is a chemical compound with molecular formula C7H6ClNO3 and molecular weight 187.00362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chloro-2-nitrophenyl)methanol
Also Known As: 4-Chloro-2-nitrobenzyl alcohol, (4-Chloro-2-nitrophenyl)methanol, Thalidasine, Benzenemethanol, 4-chloro-2-nitro-, 4-Chloro-2-nitrobenzylalcohol
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6ClNO3 |
| Molecular Weight | 187.00362 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.00362 Da |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])CO |
| InChIKey | OAHGNOHGHOTZQU-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-2-nitrobenzyl alcohol
Property Insights of 4-Chloro-2-nitrobenzyl alcohol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-nitrobenzyl alcohol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-nitrobenzyl alcohol. Following Lipinski's Rule of Five, 4-Chloro-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
What is the CAS number of 4-Chloro-2-nitrobenzyl alcohol?
The CAS number of 4-Chloro-2-nitrobenzyl alcohol is 22996-18-5.
What is the molecular formula of 4-Chloro-2-nitrobenzyl alcohol?
The molecular formula of 4-Chloro-2-nitrobenzyl alcohol is C7H6ClNO3.
What is the molecular weight of 4-Chloro-2-nitrobenzyl alcohol?
The molecular weight of 4-Chloro-2-nitrobenzyl alcohol is 187.00362 g/mol.
Where can I buy 4-Chloro-2-nitrobenzyl alcohol?
You can request a quote for 4-Chloro-2-nitrobenzyl alcohol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-2-nitrobenzyl alcohol?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-2-nitrobenzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.