Boronic acid, 1,3-benzodioxol-4-yl- (9CI)
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Boronic acid, 1,3-benzodioxol-4-yl- (9CI)
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CAS No:
361456-68-0
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Formula:
C7H7BO4
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Chemical Name:
Boronic acid, 1,3-benzodioxol-4-yl- (9CI)
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Synonyms:
Benzo[d][1,3]dioxol-4-ylboronic acid;2,3-METHYLENEDIOXYPHENYLBORONIC ACID;1,3-benzodioxol-4-ylboronic acid;Boronic acid, 1,3-benzodioxol-4-yl-;Boronic acid, 1,3-benzodioxol-4-yl- (9CI);PubChem1869;4-Benzodioxoleboronic Acid;ACMC-209il6;SCHEMBL962423;CTK1B6481
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CAS No:
Boronic acid, 1,3-benzodioxol-4-yl- (9CI) Basic Attributes
165.93908
166.04400
DTXSID50400617
2932999099
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Boronic acid, 1,3-benzodioxol-4-yl- (9CI) Use and Manufacturing
PREPARATION 531, 3-Benzodioxole-4-boronic acid nBuLi (2.5M in hexanes, 2.38 mL, 5.97 mmol) was dropwise added to a solution of 4- bromo-1 , 3-benzodioxole (1 g, 4.97 mmol) and triisopropyl borate (1.49 mL, 6.47 mmol) in 50 mL of dry tetrahydrofuran at -78 nBuLi (2.5M in hexanes, 2.38 mL, 5.97 mmol) was dropwise added to a solution of 4- bromo-1 , 3-benzodioxole (1 g, 4.97 mmol) and triisopropyl borate (1.49 mL, 6.47 mmol) in 50 mL of dry tetrahydrofuran at -78
Computed Properties
Molecular Weight:165.94
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:166.0437389
Monoisotopic Mass:166.0437389
Topological Polar Surface Area:58.9
Heavy Atom Count:12
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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