1-Methyl-1H-pyrazole-5-boronic acid supplier

Name
(1-Methyl-1H-pyrazol-5-yl)-boronic acid
EINECS
CAS No. 720702-41-0
Article Data8
CAS DataBase
Density 1.23 g/cm³
Solubility
Melting Point
Formula C₄H₇BN₂O₂
Boiling Point 323 °C at 760 mmHg
Molecular Weight 125.923
Flash Point 149.1 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols
Synonyms 1-Methyl-pyrazole-5-boronic acid;
PSA 58.28000
LogP -1.90010

1-Methyl-1H-pyrazole-5-boronic acid Specification

The Boronic acid, (1-methyl-1H-pyrazol-5-yl)-, with the CAS registry number 720702-41-0, is also known as 1-Methyl-pyrazole-5-boronic acid. This chemical's molecular formula is C₄H₇BN₂O₂ and molecular weight is 125.922. What's more, its IUPAC name is (2-Methylpyrazol-3-yl)boronic acid.

Physical properties about Boronic acid, (1-methyl-1H-pyrazol-5-yl)-are: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.47; (4)CD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.22; (8)ACD/KOC (pH 7.4): 7.33; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 36.28 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 31.78 cm³; (15)Molar Volume: 102.3 cm³; (16)Polarizability: 12.6×10^-24cm³; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 149.1 °C; (20)Enthalpy of Vaporization: 59.63 kJ/mol; (21)Boiling Point: 323 °C at 760 mmHg; (22)Vapour Pressure: 0.000111 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1ccnn1C
(2) InChI: InChI=1/C4H7BN2O2/c1-7-4(5(8)9)2-3-6-7/h2-3,8-9H,1H3
(3) InChIKey: MGNBKNBEZGLHNF-UHFFFAOYAI

Product Name

(1-Methyl-1H-pyrazol-5-yl)-boronic acid

1-Methyl-1H-pyrazole-5-boronic acid Specification

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