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CAS No.: | 763120-58-7 |
---|---|
Name: | 1H-PYRAZOLE-4-BORONIC ACID |
Molecular Structure: | |
Formula: | C3H5BN2O2 |
Molecular Weight: | 111.896 |
Synonyms: | Boronicacid, 1H-pyrazol-4-yl- (9CI);(1H-Pyrazol-4-yl)boronic acid;Pyrazol-4-ylboronic acid; |
Density: | 1.41 g/cm3 |
Melting Point: | 146-151 °C |
Boiling Point: | 430.353 °C at 760 mmHg |
Flash Point: | 214.07 °C |
Hazard Symbols: | Xi |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 22-36/37/39-26 |
PSA: | 69.14000 |
LogP: | -1.91050 |
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The 1H-Pyrazole-4-boronic acid, with the CAS registry number 763120-58-7, is also known as Pyrazole-4-boronic acid. It belongs to the product categories of Boronic acid; Organoborons; Pyrazole. This chemical's molecular formula is C3H5BN2O2 and molecular weight is 111.895. Its IUPAC name is called 1H-pyrazol-4-ylboronic acid.
Physical properties of 1H-Pyrazole-4-boronic acid: (1)ACD/LogP: -0.58; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 11; (5)ACD/KOC (pH 7.4): 4; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.543; (10)Molar Refractivity: 25.012 cm3; (11)Molar Volume: 79.358 cm3; (12)Surface Tension: 68.881 dyne/cm; (13)Density: 1.41 g/cm3; (14)Flash Point: 214.07 °C; (15)Enthalpy of Vaporization: 72.291 kJ/mol; (16)Boiling Point: 430.353 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(C1=CNN=C1)(O)O
(2)InChI: InChI=1S/C3H5BN2O2/c7-4(8)3-1-5-6-2-3/h1-2,7-8H,(H,5,6)
(3)InChIKey: KEZNMOUMHOZFRA-UHFFFAOYSA-N