≥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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
3-Bromophenylacetonitrile has been used in the synthesis of: a series of aminoethylbiphenyls, novel 5-HT7 receptor ligands 2-(1-cyano-1-(3-bromophenyl))methylidene-3-phenylthiazolidine-4,5-dione
| Pubchem Sid | 488183267 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183267 |
| Canonical Smiles | C1=CC(=CC(=C1)Br)CC#N |
| IUPAC Name | 2-(3-bromophenyl)acetonitrile |
| InChIKey | UUZYFBXKWIQKTF-UHFFFAOYSA-N |
| INCHI | 1S/C8H6BrN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2 |
| Isomeric SMILES | C1=CC(=CC(=C1)Br)CC#N |
| WGK Germany | 3 |
| UN Number | 1694(liquid)3449(solid) |
| Packing Group | I |
| Molecular Weight | 196.04 |
| Beilstein | 2355439 |
| Reaxy-Rn | 2355439 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2355439&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 | Benzyl cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl cyanides |
| Alternative Parents | Bromobenzenes Aryl bromides Nitriles Organopnictogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyl-cyanide - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group. |
| 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 |
|---|---|---|---|
 I2126130 | Certificate of Analysis | Jul 10, 2025 | B122843 |
| I2126131 | Certificate of Analysis | Jul 10, 2025 | B122843 |
| H2408167 | Certificate of Analysis | Jun 25, 2024 | B122843 |
| E1617083 | Certificate of Analysis | Jan 02, 2024 | B122843 |
| J2213252 | Certificate of Analysis | Jul 19, 2022 | B122843 |
| J2213268 | Certificate of Analysis | Jul 19, 2022 | B122843 |
| J2213269 | Certificate of Analysis | Jul 19, 2022 | B122843 |
| C2314121 | Certificate of Analysis | Sep 09, 2021 | B122843 |
| Refractive Index | 1.57 |
|---|---|
| Flash Point(°F) | >235.4 °F |
| Flash Point(°C) | 126°C(259°F) |
| Boil Point(°C) | 275°C |
| Melt Point(°C) | 25-28°C |
| Molecular Weight | 196.040 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 194.968 Da |
| Monoisotopic Mass | 194.968 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 147.000 |
| 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 |
| 1. Ke Ma, Jianxia Dong, Dingyuan Yan, Deliang Wang, Yuanwei Wang, Jianxing Wang, Dong Wang, Hui Tan, Ben Zhong Tang. (2024) Molecular Engineering of AIE-Active Photosensitizers with High Biosafety for Effect Extracellular Antibacteria. Small, [PMID:39676412] [10.1002/smll.202403937] |
