≥97% 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488202818 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202818 |
| Canonical Smiles | C1=CC2=C(C=C1F)N=CNC2=O |
| IUPAC Name | 7-fluoro-3H-quinazolin-4-one |
| InChIKey | KCORZHJVTZIZFD-UHFFFAOYSA-N |
| INCHI | 1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12) |
| Isomeric SMILES | C1=CC2=C(C=C1F)N=CNC2=O |
| Molecular Weight | 164.14 |
| Reaxy-Rn | 511790 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=511790&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 fluorides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazoline - Pyrimidone - Aryl fluoride - Aryl halide - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - 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 |
|---|---|---|---|
 D2313342 | Certificate of Analysis | Sep 02, 2022 | F156690 |
| K2229469 | Certificate of Analysis | Sep 02, 2022 | F156690 |
| K2229475 | Certificate of Analysis | Sep 02, 2022 | F156690 |
| K2229477 | Certificate of Analysis | Sep 02, 2022 | F156690 |
| K2229478 | Certificate of Analysis | Sep 02, 2022 | F156690 |
| K2229479 | Certificate of Analysis | Sep 02, 2022 | F156690 |
| K2229480 | Certificate of Analysis | Sep 02, 2022 | F156690 |
| K2229491 | Certificate of Analysis | Sep 02, 2022 | F156690 |
| Melt Point(°C) | 248 °C |
|---|---|
| Molecular Weight | 164.140 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 164.039 Da |
| Monoisotopic Mass | 164.039 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 |
| 1. Xiaorui Wang, Di Wang, Shuang Wang, Jinsheng Li, Geng Liu, Yinghe Cui, Dan Liang, Xiaodong Wang, Zhipeng Yong, Zhe Wang. (2022) High-Performance Proton Exchange Membranes Based on Block Polybenzimidazole and Organic–Inorganic Fillers with a Low Acid Doping Level. ACS Applied Energy Materials, [PMID:] [10.1021/acsaem.1c04073] |
| 2. Guoxiao Xu, Shiji Xue, Zenglv Wei, Jing Li, Konggang Qu, Ying Li, Weiwei Cai. (2020) Stabilizing phosphotungstic acid in Nafion membrane via targeted silica fixation for high-temperature fuel cell application. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, [PMID:] [10.1016/j.ijhydene.2020.10.157] |
| 3. Xiao-Bing Yang, Lei Zhao, Kokswee Goh, Xu-Lei Sui, Ling-Hui Meng, Zhen-Bo Wang. (2019) A highly proton-/vanadium-selective perfluorosulfonic acid membrane for vanadium redox flow batteries. NEW JOURNAL OF CHEMISTRY, 43 (28): (11374-11381). [PMID:] [10.1039/C9NJ01453E] |
| 4. Shengjiao Chen, Juan Li, Yingke Zhu, Shengpei Su. (2014) Roles of anion of polyoxometalate-based ionic liquids in properties of intumescent flame retardant polypropylene. RSC Advances, 4 (62): (32902-32913). [PMID:] [10.1039/C4RA04592K] |
| 5. Weining Liu, Yuting Tian, Wanxiong Yong, Tuodong Xiong, Guodong Fu. (2024) Transparent Photochromic Coatings for Smart Windows and Information Storage. MACROMOLECULAR CHEMISTRY AND PHYSICS, 225 (24): (2400259). [PMID:] [10.1002/macp.202400259] |
