4-Pyrimidin-5-yl-benzoicacid

CAS: 216959-91-0

Ref. 3D-FP149376

Product Information

• Name: 4-Pyrimidin-5-yl-benzoicacid
• Synonyms: Benzoic acid, 4-(5-pyrimidinyl)-, 4-Pyrimidin-5-Ylbenzoate

Description

4-Pyrimidin-5-yl-benzoic acid (4PB) is a heterofunctional molecule that has carboxylate and amide functional groups. The carboxylate group is used for the synthesis of supramolecular structures with organic molecules, while the amide group can be used to synthesize coordination complexes with inorganic compounds. 4PB has been shown to bind ligands such as nitrogen atoms, frameworks, and coordination complexes. Single crystal x-ray diffraction analysis shows that 4PB has an asymmetric unit composed of two crystallographically independent molecules.

• Brand: Biosynth

Chemical properties

• Molecular weight: 200.19 g/mol
• Formula: C₁₁H₈N₂O₂
• Purity: Min. 95%
• InChI: InChI=1S/C11H8N2O2/c14-11(15)9-3-1-8(2-4-9)10-5-12-7-13-6-10/h1-7H,(H,14,15)
• InChI key: InChIKey=CCBKADQVSXLSDN-UHFFFAOYSA-N
• SMILES: O=C(O)c1ccc(-c2cncnc2)cc1