≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504752336 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752336 |
| Canonical Smiles | CC(C)(C)C#N |
| IUPAC Name | 2,2-dimethylpropanenitrile |
| InChIKey | JAMNHZBIQDNHMM-UHFFFAOYSA-N |
| INCHI | 1S/C5H9N/c1-5(2,3)4-6/h1-3H3 |
| Isomeric SMILES | CC(C)(C)C#N |
| WGK Germany | 3 |
| PubChem CID | 12416 |
| Molecular Weight | 83.13 |
| Beilstein | 1361450 |
| Reaxy-Rn | 1361449 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →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 | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2222504 | Certificate of Analysis | Apr 02, 2026 | P160477 |
| H1815019 | Certificate of Analysis | Mar 20, 2026 | P160477 |
| F2205306 | Certificate of Analysis | Mar 13, 2026 | P160477 |
| C2224053 | Certificate of Analysis | Jan 19, 2026 | P160477 |
| K2524604 | Certificate of Analysis | Nov 12, 2025 | P160477 |
| K2524611 | Certificate of Analysis | Nov 12, 2025 | P160477 |
| K2524612 | Certificate of Analysis | Nov 12, 2025 | P160477 |
| K2524613 | Certificate of Analysis | Nov 12, 2025 | P160477 |
| J2524504 | Certificate of Analysis | Jul 06, 2024 | P160477 |
| J2524505 | Certificate of Analysis | Jul 06, 2024 | P160477 |
| J2524506 | Certificate of Analysis | Jul 06, 2024 | P160477 |
| F2413190 | Certificate of Analysis | Jun 01, 2024 | P160477 |
| F2413191 | Certificate of Analysis | Jun 01, 2024 | P160477 |
| F2413192 | Certificate of Analysis | Jun 01, 2024 | P160477 |
| B2518059 | Certificate of Analysis | Jun 01, 2024 | P160477 |
| H1815020 | Certificate of Analysis | Jun 18, 2022 | P160477 |
| D2325092 | Certificate of Analysis | Jun 07, 2022 | P160477 |
| Solubility | Miscible with ethanol, acetone and toluene. Slightly miscible with water. |
|---|---|
| Refractive Index | 1.38 |
| Flash Point(°F) | 39.2 °F |
| Flash Point(°C) | 21°C(lit.) |
| Boil Point(°C) | 105°C |
| Melt Point(°C) | 15 °C |
| Molecular Weight | 83.130 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 83.0735 Da |
| Monoisotopic Mass | 83.0735 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 77.800 |
| 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 |
