苦味酸
TL;DR: 苦味酸 (CAS 88-89-1) is a chemical compound with molecular formula C6H3N3O7 and molecular weight 229.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苦味酸
2,4,6-trinitrophenol
Also Known As: PICRIC ACID, Trinitrophenol, 2,4,6-Trinitrophenol, Carbazotic acid, Melinite
| Molecular Formula | C6H3N3O7 |
|---|---|
| Molecular Weight | 229.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.9971 |
| Heavy Atoms | 16 |
| Complexity | 292.0 |
| Melting Point | 122.2 °C |
| Boiling Point | Explodes above 300.0 °C |
| Density | 1.76 |
| Solubility | 1 % (NIOSH, 2024) |
| Flash Point | 150.0 °C |
| Vapor Pressure | 1 mmHg at 195.0 °C |
| Refractive Index | 1.763 at 25 °C |
Chemical Identifiers
| CAS Number | 88-89-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | OXNIZHLAWKMVMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苦味酸 (CAS 88-89-1), with molecular formula C6H3N3O7 and molecular weight 229.00 g/mol. IUPAC: 2,4,6-trinitrophenol.
Chemical Property Profile of 苦味酸
Property Insights of 苦味酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苦味酸. The TPSA of 158.0 Ų indicates high polarity, suggesting 苦味酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 苦味酸 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 苦味酸?
The CAS number of 苦味酸 is 88-89-1.
What is the molecular formula of 苦味酸?
The molecular formula of 苦味酸 is C6H3N3O7.
What is the molecular weight of 苦味酸?
The molecular weight of 苦味酸 is 229.00 g/mol.
Where can I buy 苦味酸?
You can request a quote for 苦味酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苦味酸?
Yes, KEHONG BIO provides custom synthesis services for 苦味酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.