179942-55-3

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179942-55-3 Structure

Identification	Back Directory
[Name] 4-(2H-TETRAZOL-5-YL)-PHENYLBORONIC ACID
[CAS] 179942-55-3
[Synonyms] 4-(1HTetrazol-5-yl)phenylboronicaci 4-(2H-TETRAZOL-5-YL)-PHENYLBORONIC ACID 4-(1H-Tetrazol-5-yl)-phenylboronic acid Boronic acid, B-[4-(2H-tetrazol-5-yl)phenyl]-
[Molecular Formula] C7H7BN4O2
[MDL Number] MFCD06739099
[MOL File] 179942-55-3.mol
[Molecular Weight] 189.97

Chemical Properties	Back Directory
[Melting point ] 174-179°C (Decomposition)
[Boiling point ] 480.3±55.0 °C(Predicted)
[density ] 1.51±0.1 g/cm3(Predicted)
[storage temp. ] 2-8°C
[form ] solid
[pka] 4.11±0.10(Predicted)
[Appearance] White to off-white Solid
[InChI] 1S/C7H7BN4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12)
[InChIKey] DXUPJOQUAAVAGV-UHFFFAOYSA-N
[SMILES] OB(O)c1ccc(cc1)-c2nnn[nH]2

Safety Data	Back Directory
[Symbol(GHS) ] GHS02,GHS07
[Signal word ] Danger
[Hazard statements ] H315-H319-H228
[Precautionary statements ] P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
[WGK Germany ] 3
[Storage Class] 13 - Non Combustible Solids

Hazard Information	Back Directory
[Uses] Product is used as a reactant for palladium-catalyzed carbon-carbon bond formation (Suzuki-Miyuara reaction).

Spectrum Detail	Back Directory
[Spectrum Detail] 4-(2H-TETRAZOL-5-YL)-PHENYLBORONIC ACID(179942-55-3)¹HNMR

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