≥98%(GC) 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.
General description：
4-Bromo-2-nitrotoluene is a nitrotoluene derivative. It can be synthesized by the regioselective bromination of o-nitrotoluene.
application：
4-Bromo-2-nitrotoluene may be used as a starting material in the synthesis of the following:
4-bromo-2-nitrobenzylidene
4-bromo-2-nitrobenzaldehyde
4-bromo-2-chlorotoluene
4-bromo-2-nitrobenzoic acid by oxidation
6-bromoindole by Batcho-Leimgruber indole synthesis
3-(4-bromo-2-nitrophenyl)-2-[2-(tert-butyldimethylsilanyloxy)ethyl]-N-(2,4-dichloro-6-iodophenyl)-N-methoxymethylacrylamide
| Pubchem Sid | 488187761 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187761 |
| Sonrisas canónicas | CC1=C(C=C(C=C1)Br)[N+](=O)[O-] |
| IUPAC Name | 4-bromo-1-methyl-2-nitrobenzene |
| InChIKey | KZNXALJXBRSMFL-UHFFFAOYSA-N |
| INCHI | 1S/C7H6BrNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3 |
| Isómeros SMILES | CC1=C(C=C(C=C1)Br)[N+](=O)[O-] |
| WGK Alemania | 3 |
| Peso molecular | 216.03 |
| Beilstein | 5(4)860 |
| Reaxy-Rn | 2328190 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2328190&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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitrotoluenes Nitroaromatic compounds Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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 | Fecha | Articulo |
|---|---|---|---|
 G1705073 | Certificate of Analysis | Feb 08, 2025 | B153120 |
| D2001171 | Certificate of Analysis | Jan 03, 2024 | B153120 |
| A2310504 | Certificate of Analysis | Jan 16, 2023 | B153120 |
| E2331205 | Certificate of Analysis | Aug 08, 2022 | B153120 |
| K2224104 | Certificate of Analysis | Aug 08, 2022 | B153120 |
| K2224107 | Certificate of Analysis | Aug 08, 2022 | B153120 |
| K2224108 | Certificate of Analysis | Aug 08, 2022 | B153120 |
| K2224111 | Certificate of Analysis | Aug 08, 2022 | B153120 |
| K2224114 | Certificate of Analysis | Aug 08, 2022 | B153120 |
| K2224115 | Certificate of Analysis | Aug 08, 2022 | B153120 |
| K2224116 | Certificate of Analysis | Aug 08, 2022 | B153120 |
| K2224118 | Certificate of Analysis | Aug 08, 2022 | B153120 |
| Punto de inflamación (°F) | 230°F |
|---|---|
| Punto de inflamación (°C) | >110℃ |
| Punto de ebullición (°C) | 256 °C |
| Punto de fusión (°C) | 46 °C |
| Peso molecular | 216.030 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 214.958 Da |
| Monoisotopic Mass | 214.958 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 157.000 |
| 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 |
