Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
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A119780-5ml
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5ml |
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
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$209.90
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| Synonyms | ACETONITRILE | Cyanomethane | Methyl cyanide | 75-05-8 | Ethanenitrile | Ethyl nitrile | Methanecarbonitrile | Methane, cyano- | Acetonitril | Cyanure de methyl | Methylkyanid | MeCN | USAF EK-488 | RCRA waste number U003 | Methylkyanid [Czech] | NCI-C60822 | NCMe | Cyanure de methyl [Fre |
|---|---|
| Specifications & Purity | ≥99.8% |
| Shipped In | Normal |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Organic cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitriles |
| Alternative Parents | Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. |
| External Descriptors | aliphatic nitrile |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| IUPAC Name | acetonitrile |
|---|---|
| INCHI | InChI=1S/C2H3N/c1-2-3/h1H3 |
| InChIKey | WEVYAHXRMPXWCK-UHFFFAOYSA-N |
| Smiles | CC#N |
| Isomeric SMILES | CC#N |
| WGK Germany | 2 |
| PubChem CID | 6342 |
| UN Number | 1648 |
| Packing Group | II |
| Molecular Weight | 41.05 |
| Beilstein | 741857 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Dec 11, 2023 | A119780 | |
| Certificate of Analysis | Sep 14, 2023 | A119780 | |
| Certificate of Analysis | Sep 14, 2023 | A119780 | |
| Certificate of Analysis | Nov 18, 2022 | A119780 |
| Sensitivity | light sensitive |
|---|---|
| Refractive Index | 1.343-1.345 |
| Flash Point(°C) | 2 °C |
| Boil Point(°C) | 81-82°C |
| Melt Point(°C) | -46°C |
| Molecular Weight | 41.050 g/mol |
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 41.0265 Da |
| Monoisotopic Mass | 41.0265 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 3 |
| Formal Charge | 0 |
| Complexity | 29.300 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |