≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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 | CC1=CC(=C(C=C1[N+](=O)[O-])C=O)Br |
|---|---|
| IUPAC Name | 2-bromo-4-methyl-5-nitrobenzaldehyde |
| InChIKey | OKHCEMLRYRLMEX-UHFFFAOYSA-N |
| INCHI | 1S/C8H6BrNO3/c1-5-2-7(9)6(4-11)3-8(5)10(12)13/h2-4H,1H3 |
| Isomeric SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])C=O)Br |
| Alternate CAS | 159730-72-0 |
| PubChem CID | 10657890 |
| Molecular Weight | 244.04 |
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 | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzaldehydes |
| Alternative Parents | Nitrotoluenes Nitroaromatic compounds Benzoyl derivatives Benzaldehydes Bromobenzenes Aryl bromides Vinylogous halides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzaldehyde - Nitrotoluene - Benzaldehyde - Nitroaromatic compound - Benzoyl - Bromobenzene - Halobenzene - Toluene - Aryl-aldehyde - Aryl bromide - Aryl halide - Vinylogous halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organobromide - Organic oxide - Organohalogen compound - Organic salt - Aldehyde - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzaldehydes. These are nitrobenzenes that carry an aldehyde group at any position of the benzene ring. |
| 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 |
|---|---|---|---|
 K2506285 | Certificate of Analysis | Sep 05, 2025 | B724947 |
| K2506286 | Certificate of Analysis | Sep 05, 2025 | B724947 |
| K2506287 | Certificate of Analysis | Sep 05, 2025 | B724947 |
| K2506288 | Certificate of Analysis | Sep 05, 2025 | B724947 |
| Sensitivity | light sensitive，hygroscopic，heat sensitive |
|---|---|
| Molecular Weight | 244.040 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 242.953 Da |
| Monoisotopic Mass | 242.953 Da |
| Topological Polar Surface Area | 62.900 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 216.000 |
| 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 |
