1-Nitropropane
TL;DR: 1-Nitropropane (CAS 108-03-2) is a chemical compound with molecular formula C3H7NO2 and molecular weight 89.047676 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-nitropropane
Also Known As: 1-NITROPROPANE, Nitropropane, Propane, 1-nitro-, Propane, nitro-, 1-nitro-propane
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H7NO2 |
| Molecular Weight | 89.047676 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 89.047676 Da |
| Heavy Atoms | 6 |
| Complexity | 47.0 |
| Melting Point | -162 °F (NTP, 1992) |
| Boiling Point | 270 °F at 760 mmHg (NTP, 1992) |
| Density | 0.9934 at 77 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 93 °F (NTP, 1992) |
| Vapor Pressure | 8 mmHg (NIOSH, 2024) |
| Refractive Index | Index of refraction: 1.4018 at 20 °C/D |
| Solubility | Slightly soluble (NTP, 1992) |
| SMILES | CCC[N+](=O)[O-] |
| InChIKey | JSZOAYXJRCEYSX-UHFFFAOYSA-N |
Product Description
Applications: 1-Nitropropane is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
1-Nitropropane is a organic building block identified by CAS number 108-03-2 and the molecular formula C3H7NO2 and a molecular weight of 89.05 g/mol. Physically, the compound has a density of 0.9934 at 77 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Slightly soluble (NTP, 1992). Synonyms include 1-NITROPROPANE and Nitropropane.
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 1-Nitropropane
Property Insights of 1-Nitropropane
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitropropane. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Nitropropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitropropane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Nitropropane?
The CAS number of 1-Nitropropane is 108-03-2.
What is the molecular formula of 1-Nitropropane?
The molecular formula of 1-Nitropropane is C3H7NO2.
What is the molecular weight of 1-Nitropropane?
The molecular weight of 1-Nitropropane is 89.047676 g/mol.
What are the applications of 1-Nitropropane?
1-Nitropropane is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy 1-Nitropropane?
You can request a quote for 1-Nitropropane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Nitropropane?
Yes, CoreyChem provides custom synthesis services for 1-Nitropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.