5-Pyrimidineboronic Acid - CAS 109299-78-7
Catalog: |
BB002433 |
Product Name: |
5-Pyrimidineboronic Acid |
CAS: |
109299-78-7 |
Synonyms: |
5-pyrimidinylboronic acid; pyrimidin-5-ylboronic acid |
IUPAC Name: | pyrimidin-5-ylboronic acid |
Description: | 5-Pyrimidineboronic Acid (CAS# 109299-78-7) is one of the new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions. |
Molecular Weight: | 123.91 |
Molecular Formula: | C4H5N2O2B |
Canonical SMILES: | B(C1=CN=CN=C1)(O)O |
InChI: | InChI=1S/C4H5BN2O2/c8-5(9)4-1-6-3-7-2-4/h1-3,8-9H |
InChI Key: | HZFPPBMKGYINDF-UHFFFAOYSA-N |
Boiling Point: | 334.7 °C at 760 mmHg |
Flash Point: | Not applicable |
Density: | 1.33 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | -1.84360 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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CN-113461666-A | Biphenyl diaryl methyl pyrimidine derivative containing aromatic heterocyclic structure and preparation method thereof | 20210506 |
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PMID | Publication Date | Title | Journal |
15007413 | 20040321 | 5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions | Organic & biomolecular chemistry |
Complexity: | 84.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.0444076 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.0444076 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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