(2H3)Acetonitrile
TL;DR: (2H3)Acetonitrile (CAS 2206-26-0) is a chemical compound with molecular formula C2H3N and molecular weight 44.04538 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trideuterioacetonitrile
Also Known As: Acetonitrile-d3, (2H3)Acetonitrile, Acetonitrile D3, Methyl-d3 cyanide, Cyanomethane
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2H3N |
| Molecular Weight | 44.04538 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 44.04538 Da |
| Heavy Atoms | 3 |
| Complexity | 29.0 |
| Appearance | liquid |
| Purity | ≥99% (CP) |
| Melting Point | -45 °C |
| Boiling Point | 81.3 °C @760 [mm Hg] |
| Density | 0.849 @ 20°C |
| Vapor Pressure | 74 [mm Hg] @20 °C |
| Refractive Index | n20/D 1.341 (lit.) |
| SMILES | [2H]C([2H])([2H])C#N |
| InChIKey | WEVYAHXRMPXWCK-FIBGUPNXSA-N |
Product Description
Applications: Application Acetonitrile-d3 has been used as a deuterated solvent for the dissolution of internal standard and sample in qNMR (Quantitative Nuclear Magnetic Resonance) quantification experiments. It has also been used as the deuterated solvent in the synthesis of N-methyl indolylfulgimide, which is studied using UV-pump-IR-probe spectroscopy. Other Notes Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us f
Chemical Property Profile of (2H3)Acetonitrile
Property Insights of (2H3)Acetonitrile
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2H3)Acetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, (2H3)Acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2H3)Acetonitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2H3)Acetonitrile?
The CAS number of (2H3)Acetonitrile is 2206-26-0.
What is the molecular formula of (2H3)Acetonitrile?
The molecular formula of (2H3)Acetonitrile is C2H3N.
What is the molecular weight of (2H3)Acetonitrile?
The molecular weight of (2H3)Acetonitrile is 44.04538 g/mol.
What does (2H3)Acetonitrile look like?
(2H3)Acetonitrile appears as liquid.
What are the applications of (2H3)Acetonitrile?
Application Acetonitrile-d3 has been used as a deuterated solvent for the dissolution of internal standard and sample in qNMR (Quantitative Nuclear Magnetic Resonance) quantification experiments. It has also been used as the deuterated solvent in the synthesis of N-methyl indolylfulgimide, which...
Where can I buy (2H3)Acetonitrile?
You can request a quote for (2H3)Acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2H3)Acetonitrile?
Yes, CoreyChem provides custom synthesis services for (2H3)Acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.