≥96% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Product Introduction
2-Bromo-N-methylaniline can be synthesized via the reduction of 2-bromoformylanilide.
Application
2-Bromo-N-methylaniline can be used to synthesize benzimidazole derivatives, via one pot N-arylation of amides/cyclic amides in the presence of copper iodide nanoparticles. It can also be used in the synthesis of alkyltelluro-substituted aromatic amines, which can show radical trapping ability.
| Pubchem Sid | 504758502 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758502 |
| Canonical Smiles | CNC1=CC=CC=C1Br |
| IUPAC Name | 2-bromo-N-methylaniline |
| InChIKey | SMVIAQFTVWDWDS-UHFFFAOYSA-N |
| INCHI | 1S/C7H8BrN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3 |
| Isomeric SMILES | CNC1=CC=CC=C1Br |
| WGK Germany | 2 |
| Molecular Weight | 186186.05 |
| Reaxy-Rn | 2716106 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2716106&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 | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Aralkylamines |
| Direct Parent | Phenylalkylamines |
| Alternative Parents | 2-bromoanilines Secondary alkylarylamines Bromobenzenes Aryl bromides Organopnictogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 2-bromoaniline - Aniline or substituted anilines - Phenylalkylamine - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Benzenoid - Secondary amine - Organobromide - Organohalogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl group. |
| External Descriptors | Not available |
| Refractive Index | 1.6070 |
|---|---|
| Flash Point(°F) | 217 °F |
| Flash Point(°C) | 103 °C |
| Boil Point(°C) | 107-109 °C/12 mmHg |
| Molecular Weight | 186.050 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 184.984 Da |
| Monoisotopic Mass | 184.984 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 85.000 |
| 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 |
K2130664