5-Bromo-7-nitroindole is used in gas chromatography analysis. It is also used as pharmaceutical and medical intermediate.
| Pubchem Sid | 504760182 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760182 |
| Sonrisas canónicas | C1=CNC2=C(C=C(C=C21)Br)[N+](=O)[O-] |
| IUPAC Name | 5-bromo-7-nitro-1H-indole |
| InChIKey | WERRDKWLHFDNTO-UHFFFAOYSA-N |
| INCHI | 1S/C8H5BrN2O2/c9-6-3-5-1-2-10-8(5)7(4-6)11(12)13/h1-4,10H |
| Isómeros SMILES | C1=CNC2=C(C=C(C=C21)Br)[N+](=O)[O-] |
| Peso molecular | 241.05 |
| Beilstein | 8139934 |
| Reaxy-Rn | 8139934 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8139934&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 | Organoheterocyclic compounds |
| Clase | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indoles |
| Alternative Parents | Nitroaromatic compounds Benzenoids Aryl bromides Pyrroles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole - Nitroaromatic compound - Aryl bromide - Aryl halide - Benzenoid - Pyrrole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. |
| 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 |
|---|---|---|---|
 C2617198 | Certificate of Analysis | Mar 25, 2026 | B353039 |
| F2204081 | Certificate of Analysis | Mar 03, 2025 | B353039 |
| F2204154 | Certificate of Analysis | Mar 03, 2025 | B353039 |
| F2204155 | Certificate of Analysis | Mar 03, 2025 | B353039 |
| F2204156 | Certificate of Analysis | Mar 03, 2025 | B353039 |
| Solubilidad | Insoluble in water. |
|---|---|
| Índice de refracción | n20D1.75 (Predicted) |
| Punto de ebullición (°C) | 402.3° C at 760 mmHg |
| Punto de fusión (°C) | 211-214° C |
| Peso molecular | 241.040 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 239.953 Da |
| Monoisotopic Mass | 239.953 Da |
| Topological Polar Surface Area | 61.600 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 219.000 |
| 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 |
