Butyronitrile
TL;DR: Butyronitrile (CAS 109-74-0) is a chemical compound with molecular formula C4H7N and molecular weight 69.057846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butanenitrile
Also Known As: Butyronitrile, BUTANENITRILE, Propyl cyanide, N-Butyronitrile, 1-Cyanopropane
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H7N |
| Molecular Weight | 69.057846 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 69.057846 Da |
| Heavy Atoms | 5 |
| Complexity | 47.0 |
| Melting Point | -171 °F (USCG, 1999) |
| Boiling Point | 244 °F at 760 mmHg (USCG, 1999) |
| Density | 0.7936 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 62 °F (USCG, 1999) |
| Vapor Pressure | 20.68 mmHg (USCG, 1999) |
| Refractive Index | Index of refraction: 1.38385 @ 20 °C/D |
| Solubility | 3 % at 77 °F (NIOSH, 2024) |
| SMILES | CCCC#N |
| InChIKey | KVNRLNFWIYMESJ-UHFFFAOYSA-N |
Product Description
Applications: Butyronitrile is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Butyronitrile (CAS 109-74-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Butyronitrile (CAS 109-74-0) has the molecular formula C4H7N and a molecular weight of 69.06 g/mol. Reported properties include a density of 0.7936 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: 3 % at 77 °F (NIOSH, 2024). It is also known as Butyronitrile and BUTANENITRILE.
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 Butyronitrile
Property Insights of Butyronitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyronitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Butyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyronitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butyronitrile?
The CAS number of Butyronitrile is 109-74-0.
What is the molecular formula of Butyronitrile?
The molecular formula of Butyronitrile is C4H7N.
What is the molecular weight of Butyronitrile?
The molecular weight of Butyronitrile is 69.057846 g/mol.
What are the applications of Butyronitrile?
Butyronitrile is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Butyronitrile (CAS...
Where can I buy Butyronitrile?
You can request a quote for Butyronitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyronitrile?
Yes, CoreyChem provides custom synthesis services for Butyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.