Hydracrylonitrile
TL;DR: Hydracrylonitrile (CAS 109-78-4) 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.
3-hydroxypropanenitrile
Also Known As: 3-Hydroxypropionitrile, 3-Hydroxypropanenitrile, Hydracrylonitrile, 2-Cyanoethanol, ETHYLENE CYANOHYDRIN
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H5NO |
| Molecular Weight | 71.03712 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 71.03712 Da |
| Heavy Atoms | 5 |
| Complexity | 51.0 |
| Melting Point | -51 °F (NTP, 1992) |
| Boiling Point | 442 °F at 760 mmHg (slight decomposition) (NTP, 1992) |
| Density | 1.047 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | greater than 265 °F (NTP, 1992) |
| Vapor Pressure | 0.08 mmHg at 77 °F ; 20 mmHg at 243 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.4248 @ 20 °C/D |
| Solubility | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
| SMILES | C(CO)C#N |
| InChIKey | WSGYTJNNHPZFKR-UHFFFAOYSA-N |
Product Description
Applications: Hydracrylonitrile is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Hydracrylonitrile (CAS 109-78-4) is a heterocyclic building block with the molecular formula C3H5NO and a molecular weight of 71.04 g/mol. Key physical properties include a density of 1.047 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: greater than or equal to 100 mg/mL at 68 °F (NTP, 1992). Synonyms include 3-Hydroxypropionitrile and 3-Hydroxypropanenitrile.
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 Hydracrylonitrile
Property Insights of Hydracrylonitrile
The XLogP value of -0.9 indicates that Hydracrylonitrile 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, Hydracrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydracrylonitrile 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 Hydracrylonitrile?
The CAS number of Hydracrylonitrile is 109-78-4.
What is the molecular formula of Hydracrylonitrile?
The molecular formula of Hydracrylonitrile is C3H5NO.
What is the molecular weight of Hydracrylonitrile?
The molecular weight of Hydracrylonitrile is 71.03712 g/mol.
What are the applications of Hydracrylonitrile?
Hydracrylonitrile is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Hydracrylonitrile?
You can request a quote for Hydracrylonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hydracrylonitrile?
Yes, CoreyChem provides custom synthesis services for Hydracrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.