≥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 | 488198153 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488198153 |
| Canonical Smiles | CC1=CC(=C(C=C1)Br)C#N |
| IUPAC Name | 2-bromo-5-methylbenzonitrile |
| InChIKey | AKCXJAVATJLYQM-UHFFFAOYSA-N |
| INCHI | 1S/C8H6BrN/c1-6-2-3-8(9)7(4-6)5-10/h2-4H,1H3 |
| Isomeric SMILES | CC1=CC(=C(C=C1)Br)C#N |
| WGK Germany | 3 |
| Molecular Weight | 196.04 |
| Reaxy-Rn | 2574197 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2574197&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 | Toluenes Bromobenzenes Aryl bromides Nitriles Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - Toluene - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - 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 |
|---|---|---|---|
 F1424048 | Certificate of Analysis | Jan 27, 2026 | B123973 |
| J2123506 | Certificate of Analysis | Aug 11, 2025 | B123973 |
| J2123508 | Certificate of Analysis | Aug 11, 2025 | B123973 |
| C2314068 | Certificate of Analysis | Mar 21, 2023 | B123973 |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 61-65°C |
| Molecular Weight | 196.040 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| 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 | 158.000 |
| 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 |
