≥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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488194744 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194744 |
| Canonical Smiles | C1=CC(=CC(=C1)C(=O)O)C2=CN=CN=C2 |
| IUPAC Name | 3-pyrimidin-5-ylbenzoic acid |
| InChIKey | URQRFVRGUHUTMI-UHFFFAOYSA-N |
| INCHI | 1S/C11H8N2O2/c14-11(15)9-3-1-2-8(4-9)10-5-12-7-13-6-10/h1-7H,(H,14,15) |
| Isomeric SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CN=CN=C2 |
| PubChem CID | 4187250 |
| Molecular Weight | 200.19 |
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 | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrimidines |
| Alternative Parents | Benzoic acids Benzoyl derivatives Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 5-phenylpyrimidine - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| 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 |
|---|---|---|---|
 F2328771 | Certificate of Analysis | Apr 02, 2026 | P195319 |
| F2328772 | Certificate of Analysis | Apr 02, 2026 | P195319 |
| F2328773 | Certificate of Analysis | Apr 02, 2026 | P195319 |
| F2328774 | Certificate of Analysis | Apr 02, 2026 | P195319 |
| F2328799 | Certificate of Analysis | Jun 07, 2023 | P195319 |
| F2328800 | Certificate of Analysis | Jun 07, 2023 | P195319 |
| F2328801 | Certificate of Analysis | Jun 07, 2023 | P195319 |
| G2418021 | Certificate of Analysis | Jun 07, 2023 | P195319 |
| H2515098 | Certificate of Analysis | Jun 07, 2023 | P195319 |
| Molecular Weight | 200.190 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 200.059 Da |
| Monoisotopic Mass | 200.059 Da |
| Topological Polar Surface Area | 63.100 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 227.000 |
| 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 |
