6-Indazolyboronic acid supplier

Name
6-INDAZOLYBORONIC ACID
EINECS
CAS No. 885068-10-0
Article Data2
CAS DataBase
Density 1.423 g/cm³
Solubility
Melting Point 112-117°C
Formula C₇H₇BN₂O₂
Boiling Point 457.012 °C at 760 mmHg
Molecular Weight 161.956
Flash Point 230.193 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Boronicacid, 1H-indazol-6-yl- (9CI);1H-Indazol-6-ylboronic acid;
PSA 69.14000
LogP -0.75730

6-Indazolyboronic acid Specification

The 6-Indazolyboronic acid with the cas number 885068-10-0 is also called Boronic acid,B-1H-indazol-6-yl-. Both the systematic name and IUPAC name are 1H-indazol-6-ylboronic acid. Its molecular formula is C₇H₇BN₂O₂. This chemical belongs to the following product categories: (1)pharmacetical; (2)Indazole; (3)Organoborons.

The properties of the chemical are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.828; (4)ACD/LogD (pH 7.4): 0.729; (5)ACD/BCF (pH 5.5): 2.508; (6)ACD/BCF (pH 7.4): 1.993; (7)ACD/KOC (pH 5.5): 67.149; (8)ACD/KOC (pH 7.4): 53.365; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 69.14 Å²; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 42.569 cm³; (15)Molar Volume: 113.817 cm³; (16)Polarizability: 16.876×10^-24cm³; (17)Surface Tension: 73.733 dyne/cm; (18)Enthalpy of Vaporization: 75.558 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc2cn[nH]c2c1)(O)O
(2)InChI: InChI=1/C7H7BN2O2/c11-8(12)6-2-1-5-4-9-10-7(5)3-6/h1-4,11-12H,(H,9,10)
(3)InChIKey: ZKNLCHWRWRYPGG-UHFFFAOYAA

Product Name

6-INDAZOLYBORONIC ACID

6-Indazolyboronic acid Specification

Related Products

Hot Products