2,2,2-三硝基乙醇
TL;DR: 2,2,2-三硝基乙醇 (CAS 918-54-7) is a chemical compound with molecular formula C2H3N3O7 and molecular weight 181.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-三硝基乙醇
2,2,2-trinitroethanol
Also Known As: 2,2,2-Trinitroethanol, TRINITROETHANOL, Ethanol, 2,2,2-trinitro-, Trinitroethanol [Forbidden], 2,2,2-trinitroethan-1-ol
| Molecular Formula | C2H3N3O7 |
|---|---|
| Molecular Weight | 181.00 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.9971 |
| Heavy Atoms | 12 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 918-54-7 |
|---|---|
| SMILES | C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])O |
| InChIKey | JGAGBYRIJUMEDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-三硝基乙醇 (CAS 918-54-7), with molecular formula C2H3N3O7 and molecular weight 181.00 g/mol. IUPAC: 2,2,2-trinitroethanol.
Chemical Property Profile of 2,2,2-三硝基乙醇
Property Insights of 2,2,2-三硝基乙醇
The XLogP value of -0.7 indicates that 2,2,2-三硝基乙醇 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting 2,2,2-三硝基乙醇 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2,2-三硝基乙醇 has 1 hydrogen bond donor(s) and 7 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 2,2,2-三硝基乙醇?
The CAS number of 2,2,2-三硝基乙醇 is 918-54-7.
What is the molecular formula of 2,2,2-三硝基乙醇?
The molecular formula of 2,2,2-三硝基乙醇 is C2H3N3O7.
What is the molecular weight of 2,2,2-三硝基乙醇?
The molecular weight of 2,2,2-三硝基乙醇 is 181.00 g/mol.
Where can I buy 2,2,2-三硝基乙醇?
You can request a quote for 2,2,2-三硝基乙醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-三硝基乙醇?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-三硝基乙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.