Adiponitrile
TL;DR: Adiponitrile (CAS 111-69-3) is a chemical compound with molecular formula C6H8N2 and molecular weight 108.06875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexanedinitrile
Also Known As: ADIPONITRILE, Hexanedinitrile, 1,4-Dicyanobutane, Adipodinitrile, Adipyldinitrile
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H8N2 |
| Molecular Weight | 108.06875 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 108.06875 Da |
| Heavy Atoms | 8 |
| Complexity | 113.0 |
| Melting Point | 36.1 °F (EPA, 1998) |
| Boiling Point | 563 °F at 760 mmHg (EPA, 1998) |
| Density | 0.965 at 68 °F (EPA, 1998) - Less dense than water; will float |
| Flash Point | 199.4 °F (EPA, 1998) |
| Vapor Pressure | 2 mmHg at 246 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.4380 @ 20 °C/D |
| Solubility | 50 to 100 mg/mL at 73 °F (NTP, 1992) |
| SMILES | C(CCC#N)CC#N |
| InChIKey | BTGRAWJCKBQKAO-UHFFFAOYSA-N |
Product Description
Applications: Adiponitrile is used in complex organic molecule assembly across discovery and process chemistry, as well as catalysis, accelerating transformations in both laboratory and industrial settings. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Adiponitrile (CAS 111-69-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Adiponitrile is a organic building block identified by CAS number 111-69-3 and the molecular formula C6H8N2 and a molecular weight of 108.07 g/mol. Physically, the compound has a density of 0.965 at 68 °F (EPA, 1998) - Less dense than water; will float g/cm³, a solubility: 50 to 100 mg/mL at 73 °F (NTP, 1992). It is also known as ADIPONITRILE and Hexanedinitrile.
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 Adiponitrile
Property Insights of Adiponitrile
The XLogP value of -0.3 indicates that Adiponitrile 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, Adiponitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Adiponitrile 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 Adiponitrile?
The CAS number of Adiponitrile is 111-69-3.
What is the molecular formula of Adiponitrile?
The molecular formula of Adiponitrile is C6H8N2.
What is the molecular weight of Adiponitrile?
The molecular weight of Adiponitrile is 108.06875 g/mol.
What are the applications of Adiponitrile?
Adiponitrile is used in complex organic molecule assembly across discovery and process chemistry, as well as catalysis, accelerating transformations in both laboratory and industrial settings. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Adiponitrile...
Where can I buy Adiponitrile?
You can request a quote for Adiponitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Adiponitrile?
Yes, CoreyChem provides custom synthesis services for Adiponitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.