| Pubchem Sid | 504762159 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762159 |
| Canonical Smiles | B(C1=CN=CN=C1)(O)O |
| IUPAC Name | pyrimidin-5-ylboronic acid |
| InChIKey | HZFPPBMKGYINDF-UHFFFAOYSA-N |
| INCHI | 1S/C4H5BN2O2/c8-5(9)4-1-6-3-7-2-4/h1-3,8-9H |
| Isomeric SMILES | B(C1=CN=CN=C1)(O)O |
| Molecular Weight | 123.91 |
| Reaxy-Rn | 7804717 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7804717&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 | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidines and pyrimidine derivatives |
| Alternative Parents | Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organoboron compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms. |
| 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 |
|---|---|---|---|
 E2220157 | Certificate of Analysis | Mar 11, 2026 | P102586 |
| E2220181 | Certificate of Analysis | Mar 11, 2026 | P102586 |
| E2220183 | Certificate of Analysis | Mar 11, 2026 | P102586 |
| G2417413 | Certificate of Analysis | Apr 11, 2024 | P102586 |
| D2010092 | Certificate of Analysis | Jan 19, 2024 | P102586 |
| D2010089 | Certificate of Analysis | Jan 19, 2024 | P102586 |
| Solubility | Soluble in Ether, MeOH, DMSO, THF. |
|---|---|
| Sensitivity | Heat & Air Sensitive |
| Melt Point(°C) | >300°C |
| Molecular Weight | 123.910 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 124.044 Da |
| Monoisotopic Mass | 124.044 Da |
| Topological Polar Surface Area | 66.200 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 84.600 |
| 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 |
