1-Methyl-1H-pyrazole-4-boronic acid supplier

Name
1-Methyl-1H-pyrazole-4-boronic acid
EINECS
CAS No. 847818-55-7
Article Data6
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 26-36/37
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Boronic acid,(1-methyl-1H-pyrazol-4-yl)- (9CI);(1-Methyl-1H-pyrazol-4-yl)boronic acid;(1-Methyl-4-pyrazolyl)boronic acid;
PSA 58.28000
LogP -1.90010

1-Methyl-1H-pyrazole-4-boronic acid Specification

The1-Methyl-1H-pyrazole-4-boronic acid, with the CAS registry number 847818-55-7, has the IUPAC name (1-methylpyrazol-4-yl)boronic acid. Its molecular formula is C₄H₇BN₂O₂and its molecular weight is 125.92. Additionally, its product categories are Pyrazole Series; Boronic Acids & Esters; Pyrazoles & Triazoles; Boronic Acids & Esters; Pyrazoles & Triazoles.

Other characteristics of the 1-Methyl-1H-pyrazole-4-boronic acid can be summarised as followings: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.48; (4)ACD/LogD (pH 7.4): -1.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.93; (8)ACD/KOC (pH 7.4): 3.67; (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)c1cnn(c1)C
2.InChI: InChI=1/C4H7BN2O2/c1-7-3-4(2-6-7)5(8)9/h2-3,8-9H,1H3
3.InChIKey: RYGOBSYXIIUFOR-UHFFFAOYAC

Product Name

1-Methyl-1H-pyrazole-4-boronic acid

1-Methyl-1H-pyrazole-4-boronic acid Specification

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