≥70%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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 | 504753407 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753407 |
| Canonical Smiles | CC=C(C)C#N |
| IUPAC Name | 2-methylbut-2-enenitrile |
| InChIKey | IHXNSHZBFXGOJM-UHFFFAOYSA-N |
| INCHI | 1S/C5H7N/c1-3-5(2)4-6/h3H,1-2H3 |
| Isomeric SMILES | CC=C(C)C#N |
| RTECS | EM8312500 |
| UN Number | 3273 |
| Packing Group | I |
| Molecular Weight | 81.12 |
| Reaxy-Rn | 1719984 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719984&ln= |
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 →Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2309477 | Certificate of Analysis | Feb 04, 2026 | M158305 |
| E2309599 | Certificate of Analysis | Feb 04, 2026 | M158305 |
| E2309604 | Certificate of Analysis | Feb 04, 2026 | M158305 |
| E2309664 | Certificate of Analysis | Feb 04, 2026 | M158305 |
| E2309679 | Certificate of Analysis | Feb 04, 2026 | M158305 |
| C2301875 | Certificate of Analysis | Dec 16, 2025 | M158305 |
| C2301890 | Certificate of Analysis | Dec 16, 2025 | M158305 |
| A2409412 | Certificate of Analysis | Dec 21, 2023 | M158305 |
| A2409413 | Certificate of Analysis | Dec 21, 2023 | M158305 |
| A2409414 | Certificate of Analysis | Dec 21, 2023 | M158305 |
| A2409415 | Certificate of Analysis | Dec 21, 2023 | M158305 |
| E2309493 | Certificate of Analysis | Feb 20, 2023 | M158305 |
| C2301874 | Certificate of Analysis | Feb 08, 2023 | M158305 |
| Solubility | Slightly soluble in water |
|---|---|
| Sensitivity | Air sensitive |
| Refractive Index | 1.42 |
| Flash Point(°C) | -17 °C |
| Boil Point(°C) | 50°C/7mmHg(lit.) |
| Molecular Weight | 81.120 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 81.0578 Da |
| Monoisotopic Mass | 81.0578 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 102.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
