≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C(C(=C1)CBr)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 1-(bromomethyl)-2-nitrobenzene |
| InChIKey | HXBMIQJOSHZCFX-UHFFFAOYSA-N |
| INCHI | 1S/C7H6BrNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2 |
| Isomeric SMILES | C1=CC=C(C(=C1)CBr)[N+](=O)[O-] |
| WGK Germany | 3 |
| UN Number | 3261 |
| Molecular Weight | 216.03 |
| Beilstein | 638991 |
| Reaxy-Rn | 638991 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=638991&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 | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitroaromatic compounds Benzyl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Benzyl halide - Benzyl bromide - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound |
| Description | 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 | Date | Item |
|---|---|---|---|
 D2607085 | Certificate of Analysis | Apr 14, 2026 | N106603 |
| I2212138 | Certificate of Analysis | Mar 10, 2026 | N106603 |
| I2212139 | Certificate of Analysis | Mar 10, 2026 | N106603 |
| F23161152 | Certificate of Analysis | Mar 04, 2025 | N106603 |
| D2412242 | Certificate of Analysis | Mar 20, 2024 | N106603 |
| C1813068 | Certificate of Analysis | Aug 15, 2023 | N106603 |
| C1813069 | Certificate of Analysis | Aug 04, 2023 | N106603 |
| F2105166 | Certificate of Analysis | Mar 10, 2023 | N106603 |
| F2105167 | Certificate of Analysis | Mar 10, 2023 | N106603 |
| J1428067 | Certificate of Analysis | May 07, 2022 | N106603 |
| Solubility | Insoluble in water. |
|---|---|
| Sensitivity | Moisture sensitive |
| Flash Point(°F) | 230 °F |
| Flash Point(°C) | 110 °C |
| Melt Point(°C) | 44-48°C |
| Molecular Weight | 216.030 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| 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 | 146.000 |
| 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. Lihui Yang, Xiao Zhao, Manjun Lei, Jie Sun, Lei Yang, Yifeng Shen, Qiangqiang Zhao. (2020) Facile construction of thermo-responsive Pickering emulsion for esterification reaction in phase transfer catalysis system. Molecular Catalysis, [PMID:] [10.1016/j.mcat.2020.111335] |
