≥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.
Product Application:
3-Nitrobenzyl bromide was used in the synthesis of 1,4-disubstituted imidazoles.
| Pubchem Sid | 504755192 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755192 |
| Canonical Smiles | C1=CC(=CC(=C1)[N+](=O)[O-])CBr |
| IUPAC Name | 1-(bromomethyl)-3-nitrobenzene |
| InChIKey | LNWXALCHPJANMJ-UHFFFAOYSA-N |
| INCHI | 1S/C7H6BrNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2 |
| Isomeric SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CBr |
| WGK Germany | 3 |
| Molecular Weight | 216.03 |
| Beilstein | 742795 |
| Reaxy-Rn | 742795 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742795&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 |
|---|---|---|---|
 K2111743 | Certificate of Analysis | Aug 12, 2025 | N124197 |
| K2111746 | Certificate of Analysis | Aug 12, 2025 | N124197 |
| K2111747 | Certificate of Analysis | Aug 12, 2025 | N124197 |
| C2520642 | Certificate of Analysis | Feb 13, 2025 | N124197 |
| C1715022 | Certificate of Analysis | Nov 14, 2024 | N124197 |
| I2312158 | Certificate of Analysis | Aug 28, 2023 | N124197 |
| I2312159 | Certificate of Analysis | Aug 28, 2023 | N124197 |
| I2312160 | Certificate of Analysis | Aug 28, 2023 | N124197 |
| Solubility | Soluble in Methanol |
|---|---|
| Sensitivity | Moisture sensitive |
| Boil Point(°C) | 115°C/0.8mmHg |
| Melt Point(°C) | 59°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 |
