1-Benzyl-1H-pyrazole-4-boronic acid

Base Information

• Chemical Name: 1-Benzyl-1H-pyrazole-4-boronic acid
• CAS No.: 852362-22-2
• Molecular Formula: C₁₀H₁₁BN₂O₂
• Molecular Weight: 202.021
• Hs Code.: 2933199090
• European Community (EC) Number: 695-016-3
• DSSTox Substance ID: DTXSID30391716
• Nikkaji Number: J2.292.214I
• Wikidata: Q72442882
• Mol file: 852362-22-2.mol

Synonyms:852362-22-2;1-Benzyl-1H-pyrazole-4-boronic acid;(1-Benzyl-1H-pyrazol-4-yl)boronic acid;(1-benzylpyrazol-4-yl)boronic Acid;1H-Pyrazole-1-benzyl-4-boronic acid;Boronic acid, [1-(phenylmethyl)-1H-pyrazol-4-yl]-;MFCD04038760;1-benzylpyrazole-4-boronic acid;SCHEMBL578237;Boronic acid,B-[1-(phenylmethyl)-1H-pyrazol-4-yl]-;AMY1022;DTXSID30391716;CHEBI:188912;JXNAIAOHYPDQQC-UHFFFAOYSA-N;AKOS004116327;AB17200;BS-2021;(1-Benzyl-1H-pyrazol-4-yl)boronicacid;NCGC00249527-01;(1-Benzyl-1H-pyrazole-4-yl)boronic acid;CS-0046117;FT-0660333;D70990;EN300-212556;J-504256

Chemical Property of 1-Benzyl-1H-pyrazole-4-boronic acid

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 1.84E-08mmHg at 25°C
• Melting Point: 76-81℃
• Refractive Index: 1.579
• Boiling Point: 438.4 °C at 760 mmHg
• PKA: 7.73±0.10(Predicted)
• Flash Point: 219 °C
• PSA: 58.28000
• Density: 1.17 g/cm³
• LogP: -0.38880
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 202.0913578
• Heavy Atom Count: 15
• Complexity: 198

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Benzyl-1H-pyrazole-4-boronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CN(N=C1)CC2=CC=CC=C2)(O)O