≥95% 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.
| Pubchem Sid | 504773419 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773419 |
| Canonical Smiles | C1=CC2=C(C(=C1)Br)C(=O)NC=N2 |
| IUPAC Name | 5-bromo-3H-quinazolin-4-one |
| InChIKey | QGHJLGZHULRQAJ-UHFFFAOYSA-N |
| INCHI | 1S/C8H5BrN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4H,(H,10,11,12) |
| Isomeric SMILES | C1=CC2=C(C(=C1)Br)C(=O)NC=N2 |
| Molecular Weight | 225.04 |
| Reaxy-Rn | 129793 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=129793&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 |
| Class | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinazolines |
| Alternative Parents | Pyrimidones Benzenoids Aryl bromides Vinylogous halides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazoline - Pyrimidone - Aryl bromide - Aryl halide - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring. |
| 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 |
|---|---|---|---|
 F2308843 | Certificate of Analysis | Mar 11, 2026 | B190998 |
| F2308844 | Certificate of Analysis | Mar 11, 2026 | B190998 |
| F2308847 | Certificate of Analysis | Mar 11, 2026 | B190998 |
| F2308848 | Certificate of Analysis | Mar 11, 2026 | B190998 |
| F2308884 | Certificate of Analysis | Mar 11, 2026 | B190998 |
| F2308896 | Certificate of Analysis | Mar 11, 2026 | B190998 |
| F2308901 | Certificate of Analysis | Mar 11, 2026 | B190998 |
| F2308904 | Certificate of Analysis | Mar 11, 2026 | B190998 |
| Molecular Weight | 225.040 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 223.959 Da |
| Monoisotopic Mass | 223.959 Da |
| Topological Polar Surface Area | 41.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 229.000 |
| 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 |
