Hydroxyacetonitrile
TL;DR: Hydroxyacetonitrile (CAS 107-16-4) is a chemical compound with molecular formula C2H3NO and molecular weight 57.021465 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxyacetonitrile
Also Known As: GLYCOLONITRILE, Hydroxyacetonitrile, Cyanomethanol, 2-Hydroxyacetonitrile, Glycolic nitrile
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2H3NO |
| Molecular Weight | 57.021465 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 57.021465 Da |
| Heavy Atoms | 4 |
| Complexity | 41.0 |
| Melting Point | Less than -98 °F (EPA, 1998) |
| Boiling Point | 361 °F at 760 mmHg with slight decomposition (EPA, 1998) |
| Density | 1.1 at 66 °F (NIOSH, 2024) - Denser than water; will sink |
| Flash Point | greater than 200 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 145.4 °F (EPA, 1998) |
| Refractive Index | Index of refraction: 1.4090 @ 25 °C |
| Solubility | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
| SMILES | C(C#N)O |
| InChIKey | LTYRAPJYLUPLCI-UHFFFAOYSA-N |
Chemical Property Profile of Hydroxyacetonitrile
Property Insights of Hydroxyacetonitrile
The XLogP value of -0.7 indicates that Hydroxyacetonitrile 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, Hydroxyacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroxyacetonitrile 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 Hydroxyacetonitrile?
The CAS number of Hydroxyacetonitrile is 107-16-4.
What is the molecular formula of Hydroxyacetonitrile?
The molecular formula of Hydroxyacetonitrile is C2H3NO.
What is the molecular weight of Hydroxyacetonitrile?
The molecular weight of Hydroxyacetonitrile is 57.021465 g/mol.
Where can I buy Hydroxyacetonitrile?
You can request a quote for Hydroxyacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hydroxyacetonitrile?
Yes, CoreyChem provides custom synthesis services for Hydroxyacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.