≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads 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.
| Canonical Smiles | C1=CC(=C(C=C1CBr)Br)C#N |
|---|---|
| IUPAC Name | 2-bromo-4-(bromomethyl)benzonitrile |
| InChIKey | FOVQCPSLQZIRSB-UHFFFAOYSA-N |
| INCHI | 1S/C8H5Br2N/c9-4-6-1-2-7(5-11)8(10)3-6/h1-3H,4H2 |
| Isomeric SMILES | C1=CC(=C(C=C1CBr)Br)C#N |
| PubChem CID | 53425521 |
| Molecular Weight | 274.94 |
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 halides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl bromides |
| Alternative Parents | Benzonitriles Bromobenzenes Aryl bromides Nitriles Organopnictogen compounds Organobromides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - Benzyl bromide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Nitrile - Carbonitrile - Organobromide - Organohalogen compound - Cyanide - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Alkyl bromide - Organonitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl group. |
| External Descriptors | Not available |
| Molecular Weight | 274.940 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 274.877 Da |
| Monoisotopic Mass | 272.879 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 172.000 |
| 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 |
K2520631