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