Lactonitrile
TL;DR: Lactonitrile (CAS 78-97-7) is a chemical compound with molecular formula C3H5NO and molecular weight 71.03712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxypropanenitrile
Also Known As: Lactonitrile, 2-HYDROXYPROPANENITRILE, 2-Hydroxypropionitrile, Acetocyanohydrin, DL-Lactonitrile
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H5NO |
| Molecular Weight | 71.03712 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 71.03712 Da |
| Heavy Atoms | 5 |
| Complexity | 60.0 |
| Melting Point | -40 °F (EPA, 1998) |
| Boiling Point | 360 to 363 °F at 760 mmHg Slight decomposition (EPA, 1998) |
| Density | 0.9877 at 68 °F (EPA, 1998) - Less dense than water; will float |
| Flash Point | 170 °F (EPA, 1998) |
| Vapor Pressure | 10 mmHg at 165.2 °F (EPA, 1998) |
| Refractive Index | Index of refraction: 1.4058 @ 18 °C/D |
| Solubility | greater than or equal to 100 mg/mL at 73 °F (NTP, 1992) |
| SMILES | CC(C#N)O |
| InChIKey | WOFDVDFSGLBFAC-UHFFFAOYSA-N |
Chemical Property Profile of Lactonitrile
Property Insights of Lactonitrile
The XLogP value of -0.3 indicates that Lactonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.0 Ų, Lactonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lactonitrile has 1 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 Lactonitrile?
The CAS number of Lactonitrile is 78-97-7.
What is the molecular formula of Lactonitrile?
The molecular formula of Lactonitrile is C3H5NO.
What is the molecular weight of Lactonitrile?
The molecular weight of Lactonitrile is 71.03712 g/mol.
Where can I buy Lactonitrile?
You can request a quote for Lactonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Lactonitrile?
Yes, CoreyChem provides custom synthesis services for Lactonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.