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885068-10-0

Basic Information
CAS No.: 885068-10-0
Name: 6-INDAZOLYBORONIC ACID
Article Data: 2
Cas Database
Molecular Structure:
Molecular Structure of 885068-10-0 (6-INDAZOLYBORONIC ACID)
Formula: C7H7BN2O2
Molecular Weight: 161.956
Synonyms: Boronicacid, 1H-indazol-6-yl- (9CI);1H-Indazol-6-ylboronic acid;
Density: 1.423 g/cm3
Melting Point: 112-117°C
Boiling Point: 457.012 °C at 760 mmHg
Flash Point: 230.193 °C
Hazard Symbols: Xn
Risk Codes: 22
Safety: 22-24/25
PSA: 69.14000
LogP: -0.75730
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  • 1H-Indazole-6-boronic acid

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    885068-10-0

    1H-Indazole-6-boronic acid

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  • 885068-10-0

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    885068-10-0

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    Nanjing Chemlin Chemical Industry Co., Ltd was established in Aug,1999, located in the industrial park of Nanjing University of Technology, It is a private enterprises in Jiangsu Province with 1200 square meters’ R&D center. Our R&D center has a well

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  • 6-Indazolboronic acid

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    885068-10-0

    6-Indazolboronic acid

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    At Capot,We can synthesize and purify your complex molecules from 100 gram to 10 tons.Appearance:Clear colorless to light yellow liquid Storage:Dry,Seal and Cool place Package:1G,5G,10G,25G,100G,250G,500G,1KG,5KG,10KG,25KG,50KG,100KG,150KG,200KG. App

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  • 885068-10-0

  • Casno:

    885068-10-0

    885068-10-0

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    quality products,accountable services Application:synthetic chemistry, discovery, process R&D

    Accela was founded by bio-pharmaceutical veterans from the US and China in 2007. Our management team has had extensive expertise and an excellent track record in synthetic chemistr

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  • 1H-Indazole-6-boronic acid

  • Casno:

    885068-10-0

    1H-Indazole-6-boronic acid

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    Shanghai AngewChemCo., Ltd. is an innovative enterprise on fine chemicals and pharmaceuticals. Based on Shanghai R&D center and Hunan chemical manufacturing plant, we offer chemical research, process development, and large-scale production. Complete

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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