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Basic Description
| Synonyms | 2-Bromo-N-methylaniline | 6832-87-7 | 2-bromo-N-methylbenzenamine | o-bromo-N-methylaniline | MFCD06798064 | Benzenamine, 2-bromo-N-methyl- | NSC338420 | SCHEMBL989524 | 2-Bromo-N-methylaniline, 95% | DTXSID80318993 | SMVIAQFTVWDWDS-UHFFFAOYSA-N | AKOS000253684 | NSC-338420 | DS-1 |
|---|---|
| Specifications & Purity | ≥96% |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
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. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic nitrogen compounds
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Class
Organonitrogen compounds
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Subclass
Amines
- Level5 Aralkylamines
- Level6 Phenylalkylamines
- Level5 Aralkylamines
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Subclass
Amines
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Class
Organonitrogen compounds
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Superclass
Organic nitrogen compounds
| 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 |
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Names and Identifiers
| Pubchem Sid | 504758502 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758502 |
| IUPAC Name | 2-bromo-N-methylaniline |
| INCHI | InChI=1S/C7H8BrN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3 |
| InChIKey | SMVIAQFTVWDWDS-UHFFFAOYSA-N |
| Smiles | CNC1=CC=CC=C1Br |
| 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= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2130719 |
Certificate of Analysis | Sep 19, 2024 | B186004 |
| K2130664 |
Certificate of Analysis | Sep 19, 2024 | B186004 |
| K2130718 |
Certificate of Analysis | Sep 19, 2024 | B186004 |
Chemical and Physical Properties
| 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 |
Solution Calculators
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