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CAS No.: | 913835-63-9 |
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Name: | Imidazo[1,2-a]pyridine-6-boronic acid |
Article Data: | 3 |
Molecular Structure: | |
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Formula: | C7H7BN2O2 |
Molecular Weight: | 161.956 |
Synonyms: | Boronicacid, imidazo[1,2-a]pyridin-6-yl- (9CI);[Imidazo[1,2-a]pyridin-6-yl]boronicacid; |
Density: | 1.31 g/cm3 |
Melting Point: | 115-117 °C.  |
Boiling Point: | 457°C at 760 mmHg |
Flash Point: | 230.2°C |
Hazard Symbols: |
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PSA: | 57.76000 |
LogP: | -0.98590 |
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The Imidazo[1,2-a]pyridine-6-boronic acid, with the CAS registry number 913835-63-9, is also known as 9-Azo-indole-5-boric acid. It belongs to the product categories of Blocks; Boronic Acids; Heterocycles; Imidazo[x,x-y]pyridine and Organoborons. This chemical's molecular formula is C7H7BN2O2 and molecular weight is 289.33. What's more, both its IUPAC name and systematic name are the same which is called Imidazo[1,2-a]pyridine-6-boronic acid.
Physical properties about Imidazo[1,2-a]pyridine-6-boronic acid are: (1) ACD/LogP: 0.72; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 7.4): 0.28; (4) #H bond acceptors: 4; (5) #H bond donors: 2; (6) #Freely Rotating Bonds: 3; (7) Polar Surface Area: 57.76 Å2; (8) Index of Refraction: 1.619; (9) Molar Refractivity: 43.25 cm3; (10) Molar Volume: 123.1 cm3; (11) Surface Tension: 53.1 dyne/cm; (12) Density: 1.31 g/cm3; (13) Melting Point: 115-117 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritant and may cause inflammation to the skin or other mucous membranes.
You can still convert the following datas into molecular structure:
(1) SMILES: B(c1ccc2nccn2c1)(O)O
(2) InChI: InChI=1/C7H7BN2O2/c11-8(12)6-1-2-7-9-3-4-10(7)5-6/h1-5,11-12H
(3) InChIKey: IPJIKGJKMCILGV-UHFFFAOYAY