Cyanoacetic acid
TL;DR: Cyanoacetic acid (CAS 372-09-8) is a chemical compound with molecular formula C3H3NO2 and molecular weight 85.01638 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyanoacetic acid
Also Known As: CYANOACETIC ACID, 2-Cyanoacetic acid, Malonic mononitrile, Acetic acid, cyano-, Cyanessigsaeure
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H3NO2 |
| Molecular Weight | 85.01638 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 85.01638 Da |
| Heavy Atoms | 6 |
| Complexity | 98.0 |
| Melting Point | 151 °F (USCG, 1999) |
| Boiling Point | 108 °C at 15 mm Hg |
| Density | greater than 1.1 at 68 °F (USCG, 1999) |
| Vapor Pressure | 0.03 [mmHg] |
| Solubility | Sol in water, alcohol, ether; slightly sol in benzene, chloroform |
| SMILES | C(C#N)C(=O)O |
| InChIKey | MLIREBYILWEBDM-UHFFFAOYSA-N |
Product Description
Applications: Cyanoacetic acid 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. CoreyChem supplies Cyanoacetic acid (CAS 372-09-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Cyanoacetic acid (CAS 372-09-8) is a heterocyclic building block with the molecular formula C3H3NO2 and a molecular weight of 85.02 g/mol. Key physical properties include a density of greater than 1.1 at 68 °F (USCG, 1999) g/cm³, a solubility: Sol in water, alcohol, ether; slightly sol in benzene, chloroform. It is also known as CYANOACETIC ACID and 2-Cyanoacetic acid.
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 Cyanoacetic acid
Property Insights of Cyanoacetic acid
The XLogP value of -0.8 indicates that Cyanoacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanoacetic acid. Following Lipinski's Rule of Five, Cyanoacetic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cyanoacetic acid?
The CAS number of Cyanoacetic acid is 372-09-8.
What is the molecular formula of Cyanoacetic acid?
The molecular formula of Cyanoacetic acid is C3H3NO2.
What is the molecular weight of Cyanoacetic acid?
The molecular weight of Cyanoacetic acid is 85.01638 g/mol.
What are the applications of Cyanoacetic acid?
Cyanoacetic acid 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. CoreyChem supplies Cyanoacetic acid (CAS 372-09-8) with...
Where can I buy Cyanoacetic acid?
You can request a quote for Cyanoacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyanoacetic acid?
Yes, CoreyChem provides custom synthesis services for Cyanoacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.