2-硝基乙醇
TL;DR: 2-硝基乙醇 (CAS 625-48-9) is a chemical compound with molecular formula C2H5NO3 and molecular weight 91.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-硝基乙醇
2-nitroethanol
Also Known As: 2-NITROETHANOL, Ethanol, 2-nitro-, 2-nitroethan-1-ol, beta-Nitroethanol, beta-Nitroalcohol
| Molecular Formula | C2H5NO3 |
|---|---|
| Molecular Weight | 91.03 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 91.02694 |
| Heavy Atoms | 6 |
| Complexity | 47.0 |
| Melting Point | -80.0 °C |
| Boiling Point | 193.9 °C at 765 mmHg |
| Density | 1.27 at 15.0 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | greater than 112.8 °C |
Chemical Identifiers
| CAS Number | 625-48-9 |
|---|---|
| SMILES | C(CO)[N+](=O)[O-] |
| InChIKey | KIPMDPDAFINLIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-硝基乙醇 (CAS 625-48-9), with molecular formula C2H5NO3 and molecular weight 91.03 g/mol. IUPAC: 2-nitroethanol.
Chemical Property Profile of 2-硝基乙醇
Property Insights of 2-硝基乙醇
The XLogP value of -0.4 indicates that 2-硝基乙醇 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-硝基乙醇. Following Lipinski's Rule of Five, 2-硝基乙醇 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-硝基乙醇?
The CAS number of 2-硝基乙醇 is 625-48-9.
What is the molecular formula of 2-硝基乙醇?
The molecular formula of 2-硝基乙醇 is C2H5NO3.
What is the molecular weight of 2-硝基乙醇?
The molecular weight of 2-硝基乙醇 is 91.03 g/mol.
Where can I buy 2-硝基乙醇?
You can request a quote for 2-硝基乙醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-硝基乙醇?
Yes, KEHONG BIO provides custom synthesis services for 2-硝基乙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.