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376584-63-3

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Basic Information
CAS No.: 376584-63-3
Name: Pyrazole-3-boronic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 376584-63-3 (Pyrazole-3-boronic acid)
Formula: C3H5BN2O2
Molecular Weight: 111.896
Synonyms: Boronicacid, 1H-pyrazol-3-yl- (9CI);1H-Pyrazol-5-ylboronic acid;Pyrazol-3-ylboronic acid;1H-Pyrazol-3-ylboronic acid;
Density: 1.40±0.1 g/cm3(Predicted)
Melting Point: 85-88°C
Boiling Point: 430.4±37.0 °C(Predicted)
Solubility: Soluble in water.
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37
PSA: 69.14000
LogP: -1.91050
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    Pyrazole-3-boronic acid

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Chemistry

Molecule structure of Pyrazole-3-boronic acid (CAS NO.376584-63-3):

IUPAC Name: 1H-Pyrazol-5-ylboronic acid 
Molecular Weight: 111.895 g/mol
Molecular Formula: C3H5BN2O2 
Density: 1.41 g/cm3 
Melting Point: 85-88 °C
Boiling Point: 430.353 °C at 760 mmHg 
Flash Point: 214.07 °C
Index of Refraction: 1.543
Molar Refractivity: 25.012 cm3
Molar Volume: 79.358 cm3 
Surface Tension: 68.881 dyne/cm 
Enthalpy of Vaporization: 72.291 kJ/mol
H-Bond Donor: 3
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 112.044408
MonoIsotopic Mass: 112.044408
Topological Polar Surface Area: 69.1
Heavy Atom Count: 8
Canonical SMILES: B(C1=CC=NN1)(O)O
InChI: InChI=1S/C3H5BN2O2/c7-4(8)3-1-2-5-6-3/h1-2,7-8H,(H,5,6)
InChIKey: NEUWPDLMDVINSN-UHFFFAOYSA-N
Product Categories of Pyrazole-3-boronic acid (CAS NO.376584-63-3): Boronic acid; Organoborons; Pyrazole

Safety Profile

Hazard Codes: IrritantXi
HazardClass: IRRITANT

Specification

 Pyrazole-3-boronic acid (CAS NO.376584-63-3) is also named as Boronic acid, B-1H-pyrazol-3-yl- ; Boronic acid, B-1H-pyrazol-5-yl- ; 1H-Pyrazol-3-yl boronic acid ; 1H-pyrazol-5-ylboronic acid ; 1H-Pyrazole-3-boronic acid ; 1H-Pyrazole-5-boronic acid .