CAS No.1001907-60-3,1-METHYLINDAZOL-4-BORONIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1001907-60-3
Name:	1-METHYLINDAZOL-4-BORONIC ACID

Formula:	C₈H₉BN₂O₂
Molecular Weight:	175.98
Synonyms:	4-Borono-1-methyl-1H-indazole;Boronic acid, B-(1-methyl-1H-indazol-4-yl)-;(1-Methyl-1H-indazol-4-yl)boronic acid;
Density:	1.27 g/cm³
Boiling Point:	397.5 °C at 760 mmHg
Flash Point:	194.2 °C
PSA:	58.28000
LogP:	-0.74690

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Specification

The CAS registry number of 1-Methylindazole-4-boronic acid is 1001907-60-3. The IUPAC name is (1-methylindazol-4-yl)boronic acid. In addition, the molecular formula is C₈H₉BN₂O₂ and the molecular weight is 175.98. What's more, it belongs to the classes of Indazole; Organoborons. And it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 1-Methylindazole-4-boronic acid are: (1)ACD/LogP: 1.30; (2)ACD/LogD (pH 5.5): 1.3; (3)ACD/LogD (pH 7.4): 1.09; (4)#H bond acceptors: 4; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 58.28 Å²; (8)Index of Refraction: 1.604; (9)Molar Refractivity: 47.67 cm³; (10)Molar Volume: 138.4 cm³; (11)Polarizability: 18.9 ×10^-24cm³; (12)Surface Tension: 47.6 dyne/cm; (13)Density: 1.27 g/cm³; (14)Flash Point: 194.2 °C; (15)Enthalpy of Vaporization: 68.33 kJ/mol; (16)Boiling Point: 397.5 °C at 760 mmHg; (17)Vapour Pressure: 4.96E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c2cccc1c2cnn1C
(2)InChI: InChI=1/C8H9BN2O2/c1-11-8-4-2-3-7(9(12)13)6(8)5-10-11/h2-5,12-13H,1H3
(3)InChIKey: MDEHELJMJCXYIU-UHFFFAOYAJ