Universal 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488182920 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182920 |
| Canonical Smiles | C=CC=C.C=CC#N.C=CC1=CC=CC=C1 |
| IUPAC Name | buta-1,3-diene;prop-2-enenitrile;styrene |
| InChIKey | XECAHXYUAAWDEL-UHFFFAOYSA-N |
| INCHI | 1S/C8H8.C4H6.C3H3N/c1-2-8-6-4-3-5-7-8;1-3-4-2;1-2-3-4/h2-7H,1H2;3-4H,1-2H2;2H,1H2 |
| Isomeric SMILES | C=CC=C.C=CC#N.C=CC1=CC=CC=C1 |
| Reaxy-Rn | 14668688 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14668688&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 →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Styrenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Styrenes |
| Alternative Parents | Aromatic hydrocarbons Cyclic olefins |
| Molecular Framework | Not available |
| Substituents | Styrene - Aromatic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety. |
| 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 |
|---|---|---|---|
 C2627318 | Certificate of Analysis | Mar 14, 2026 | A304890 |
| C2627319 | Certificate of Analysis | Mar 14, 2026 | A304890 |
| C2627320 | Certificate of Analysis | Mar 14, 2026 | A304890 |
| C2307107 | Certificate of Analysis | Dec 12, 2025 | A304890 |
| C2307130 | Certificate of Analysis | Dec 12, 2025 | A304890 |
| C2307139 | Certificate of Analysis | Dec 12, 2025 | A304890 |
| C2522056 | Certificate of Analysis | Feb 24, 2023 | A304890 |
| I2424031 | Certificate of Analysis | Feb 24, 2023 | A304890 |
| Molecular Weight | 211.300 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 211.136 Da |
| Monoisotopic Mass | 211.136 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 144.000 |
| 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 | 3 |
| 1. He Guo, Xiaomeng Cheng, Hongping Li, Jun Li, Jinjin Wei, Chongyang Feng. (2020) Synthesis, micellar structures and emission mechanisms of an AIE and DDED-featured fluorescent pH- and thermo-meter. RSC Advances, 10 (40): (23532-23542). [PMID:35517342] [10.1039/D0RA01000F] |
| 2. Yesu Zhang, Yanhong Quan, Jun Ren. (2024) Influence of the surface SO3H groups on the performance of activated carbon catalyst for ethanolysis of furfuryl alcohol to ethyl levulinate. Molecular Catalysis, [PMID:] [10.1016/j.mcat.2024.114363] |
| 3. Jinbao Huang, Liming Tai, Shi Yan, Sijia Li, Hao Cheng, Hong Wang, Yu Lv, Wenjing Duan, Xinsheng Li. (2025) Theoretical and experimental research on degradation mechanism of acrylonitrile-butadiene-styrene copolymer (ABS). JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, [PMID:] [10.1016/j.jaap.2025.107541] |
