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CAS No.: | 376584-63-3 |
---|---|
Name: | Pyrazole-3-boronic acid |
Article Data: | 3 |
Molecular Structure: | |
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: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37 |
PSA: | 69.14000 |
LogP: | -1.91050 |
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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 .