≥97% 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 | 488198278 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488198278 |
| Canonical Smiles | C1=CC(=CC=C1CCBr)C#N |
| IUPAC Name | 4-(2-bromoethyl)benzonitrile |
| InChIKey | NNNRGWOWXNCGCV-UHFFFAOYSA-N |
| INCHI | 1S/C9H8BrN/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4H,5-6H2 |
| Isomeric SMILES | C1=CC(=CC=C1CCBr)C#N |
| Molecular Weight | 210.07 |
| Reaxy-Rn | 1864196 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1864196&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 | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Nitriles Organobromides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| 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 |
|---|---|---|---|
 C2612135 | Certificate of Analysis | Mar 23, 2026 | B194753 |
| E2329898 | Certificate of Analysis | Mar 11, 2026 | B194753 |
| E2329906 | Certificate of Analysis | Mar 11, 2026 | B194753 |
| E2329908 | Certificate of Analysis | Mar 11, 2026 | B194753 |
| E2329909 | Certificate of Analysis | Mar 11, 2026 | B194753 |
| E2329912 | Certificate of Analysis | Mar 11, 2026 | B194753 |
| E2329917 | Certificate of Analysis | Mar 11, 2026 | B194753 |
| E2329918 | Certificate of Analysis | Mar 11, 2026 | B194753 |
| E2329920 | Certificate of Analysis | Mar 11, 2026 | B194753 |
| E2329921 | Certificate of Analysis | Mar 11, 2026 | B194753 |
| E2329925 | Certificate of Analysis | Mar 11, 2026 | B194753 |
| Molecular Weight | 210.070 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 208.984 Da |
| Monoisotopic Mass | 208.984 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 150.000 |
| 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 | 1 |
