Malononitrile
TL;DR: Malononitrile (CAS 109-77-3) is a chemical compound with molecular formula C3H2N2 and molecular weight 66.0218 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propanedinitrile
Also Known As: MALONONITRILE, Propanedinitrile, Dicyanomethane, Malonic dinitrile, Methylene cyanide
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H2N2 |
| Molecular Weight | 66.0218 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 66.0218 Da |
| Heavy Atoms | 5 |
| Complexity | 82.0 |
| Purity | ≥99% |
| Melting Point | 90 °F (EPA, 1998) |
| Boiling Point | 424 to 426 °F at 760 mmHg (EPA, 1998) |
| Density | 1.191 at 68 °F (EPA, 1998) - Denser than water; will sink |
| Flash Point | 266 °F (EPA, 1998) |
| Vapor Pressure | 0.2 [mmHg] |
| Refractive Index | Index of refraction: 1.4146 @ 34 °C/D |
| Solubility | greater than or equal to 100 mg/mL at 72.5 °F (NTP, 1992) |
| SMILES | C(C#N)C#N |
| InChIKey | CUONGYYJJVDODC-UHFFFAOYSA-N |
Safety Information
H300, H311 + H331, H317, H319, H410, H5437
Chemical Property Profile of Malononitrile
Property Insights of Malononitrile
The XLogP value of -0.5 indicates that Malononitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.6 Ų, Malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malononitrile 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 Malononitrile?
The CAS number of Malononitrile is 109-77-3.
What is the molecular formula of Malononitrile?
The molecular formula of Malononitrile is C3H2N2.
What is the molecular weight of Malononitrile?
The molecular weight of Malononitrile is 66.0218 g/mol.
Where can I buy Malononitrile?
You can request a quote for Malononitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Malononitrile?
Yes, CoreyChem provides custom synthesis services for Malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.