Pentaerythritol Tetranitrate
TL;DR: Pentaerythritol Tetranitrate (CAS 78-11-5) is a chemical compound with molecular formula C5H8N4O12 and molecular weight 316.0139 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate
Also Known As: PENTAERYTHRITOL TETRANITRATE, Penthrite, Nitropenta, Peritrate, Vasodiatol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8N4O12 |
| Molecular Weight | 316.0139 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 220.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 316.0139 Da |
| Heavy Atoms | 21 |
| Complexity | 311.0 |
| Melting Point | 140 |
| Boiling Point | Explodes at 205-215 °C |
| Density | 1.773 at 20 °C/4 °C |
| Vapor Pressure | 0.00000014 [mmHg] |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| SMILES | C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | TZRXHJWUDPFEEY-UHFFFAOYSA-N |
Product Description
Applications: Pentaerythritol Tetranitrate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pentaerythritol Tetranitrate (CAS 78-11-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Pentaerythritol Tetranitrate (CAS 78-11-5) has the molecular formula C5H8N4O12 and a molecular weight of 316.01 g/mol. Reported properties include a density of 1.773 at 20 °C/4 °C g/cm³, a solubility: less than 1 mg/mL at 72 °F (NTP, 1992). It is also known as PENTAERYTHRITOL TETRANITRATE and Penthrite.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Pentaerythritol Tetranitrate
Property Insights of Pentaerythritol Tetranitrate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentaerythritol Tetranitrate. The TPSA of 220.0 Ų indicates high polarity, suggesting Pentaerythritol Tetranitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentaerythritol Tetranitrate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pentaerythritol Tetranitrate?
The CAS number of Pentaerythritol Tetranitrate is 78-11-5.
What is the molecular formula of Pentaerythritol Tetranitrate?
The molecular formula of Pentaerythritol Tetranitrate is C5H8N4O12.
What is the molecular weight of Pentaerythritol Tetranitrate?
The molecular weight of Pentaerythritol Tetranitrate is 316.0139 g/mol.
What are the applications of Pentaerythritol Tetranitrate?
Pentaerythritol Tetranitrate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pentaerythritol...
Where can I buy Pentaerythritol Tetranitrate?
You can request a quote for Pentaerythritol Tetranitrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentaerythritol Tetranitrate?
Yes, CoreyChem provides custom synthesis services for Pentaerythritol Tetranitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.