2-Chloro-2-nitroethan-1-ol
TL;DR: 2-Chloro-2-nitroethan-1-ol (CAS 62635-34-1) is a chemical compound with molecular formula C2H4ClNO3 and molecular weight 124.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-2-nitroethanol
Also Known As: 2-Chloro-2-nitroethanol, 2-Chloro-2-nitroethan-1-ol, Ethanol, 2-chloro-2-nitro-, 2-Chlor-2-nitro-athanol, 3-01-00-01365 (Beilstein Handbook Reference)
| Molecular Formula | C2H4ClNO3 |
|---|---|
| Molecular Weight | 124.99 g/mol |
| LogP | -0.1797 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.98797 |
| Heavy Atoms | 7 |
| Complexity | 75.33516 |
Chemical Identifiers
| CAS Number | 62635-34-1 |
|---|---|
| SMILES | C(C([N+](=O)[O-])Cl)O |
Product Overview
2-Chloro-2-nitroethan-1-ol (CAS 62635-34-1), with molecular formula C2H4ClNO3 and molecular weight 124.99 g/mol. IUPAC: 2-chloro-2-nitroethanol.
Chemical Property Profile of 2-Chloro-2-nitroethan-1-ol
Property Insights of 2-Chloro-2-nitroethan-1-ol
The XLogP value of -0.1797 indicates that 2-Chloro-2-nitroethan-1-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-2-nitroethan-1-ol. Following Lipinski's Rule of Five, 2-Chloro-2-nitroethan-1-ol 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-Chloro-2-nitroethan-1-ol?
The CAS number of 2-Chloro-2-nitroethan-1-ol is 62635-34-1.
What is the molecular formula of 2-Chloro-2-nitroethan-1-ol?
The molecular formula of 2-Chloro-2-nitroethan-1-ol is C2H4ClNO3.
What is the molecular weight of 2-Chloro-2-nitroethan-1-ol?
The molecular weight of 2-Chloro-2-nitroethan-1-ol is 124.99 g/mol.
Where can I buy 2-Chloro-2-nitroethan-1-ol?
You can request a quote for 2-Chloro-2-nitroethan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-2-nitroethan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-2-nitroethan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.