(Acetyloxy)acetonitrile
TL;DR: (Acetyloxy)acetonitrile (CAS 1001-55-4) is a chemical compound with molecular formula C4H5NO2 and molecular weight 99.03203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyanomethyl acetate
Also Known As: Cyanomethyl acetate, Acetoxyacetonitrile, cyanomethylacetate, Acetic acid cyanomethyl ester, 2-Acetoxyacetonitrile
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H5NO2 |
| Molecular Weight | 99.03203 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 99.03203 Da |
| Heavy Atoms | 7 |
| Complexity | 110.0 |
| Vapor Pressure | 0.36 [mmHg] |
| SMILES | CC(=O)OCC#N |
| InChIKey | AJEHNBIPLQJTNU-UHFFFAOYSA-N |
Packaging: Sample packaging: 25g / 100g / 500g / 1kg foil pouches. Special products may require customized packaging — confirmed per inquiry.
Lead Time: Most products are manufactured to order; in-stock items are limited. Lead time varies by product — typically weeks to months — and is confirmed per inquiry.
Product Description
Applications: (Acetyloxy)acetonitrile 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 (Acetyloxy)acetonitrile (CAS 1001-55-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
(Acetyloxy)acetonitrile (CAS 1001-55-4) is a heterocyclic building block with the molecular formula C4H5NO2 and a molecular weight of 99.03 g/mol. It is also known as Cyanomethyl acetate and Acetoxyacetonitrile.
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 (Acetyloxy)acetonitrile
Property Insights of (Acetyloxy)acetonitrile
The XLogP value of -0.1 indicates that (Acetyloxy)acetonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.1 Ų, (Acetyloxy)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Acetyloxy)acetonitrile has 0 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 (Acetyloxy)acetonitrile?
The CAS number of (Acetyloxy)acetonitrile is 1001-55-4.
What is the molecular formula of (Acetyloxy)acetonitrile?
The molecular formula of (Acetyloxy)acetonitrile is C4H5NO2.
What is the molecular weight of (Acetyloxy)acetonitrile?
The molecular weight of (Acetyloxy)acetonitrile is 99.03203 g/mol.
What are the applications of (Acetyloxy)acetonitrile?
(Acetyloxy)acetonitrile 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 (Acetyloxy)acetonitrile (CAS...
Where can I buy (Acetyloxy)acetonitrile?
You can request a quote for (Acetyloxy)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Acetyloxy)acetonitrile?
Yes, CoreyChem provides custom synthesis services for (Acetyloxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.