3-BROMO-5-METHOXY BENZONITRILE
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3-BROMO-5-METHOXY BENZONITRILE
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CAS No:
867366-91-4
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Formula:
C8H6BrNO
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Chemical Name:
3-BROMO-5-METHOXY BENZONITRILE
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Synonyms:
3-BROMO-5-METHOXY BENZONITRILE;3-BROMO-5-METHOXYBENZOTRILE;3-BROMO-5-METHOXYBENZONITRILE,98%;3-Bromo-5-methoxybenzonitrile 99%;3-Bromo-5-cyanoanisole;3-Bromo-5-cyanoanisole, 5-Bromo-m-anisonitrile
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CAS No:
Safety Information
P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501
H301+H311+H331
|Danger|H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-BROMO-5-METHOXY BENZONITRILE Use and Manufacturing
A solution of the aldehyde 180b (12.0 g, 56 mmol), hydroxylamine hydrochloride (19.4 g, 5 equiv), EtOH (100 mL) and pyridine (10 mL) was heated to 65° C. for 16 h. A solution of the aldehyde 46b (12.0 g, 56 mmol), hydroxylamine hydrochloride (19.4 g, 5 equiv), EtOH (100 mL) and pyridine (10 mL) was heated to 65° C. for 16 h. The mixture was cooled to RT, and partitioned between 50percent EtOAc/hexanes and water. The organic layer was washed with brine and dried (MgSOA solution of the aldehyde R-21b (12.0 g, 56 mmol), NHThis material was dissolved in anhydrous dioxane (100 mL) and pyridine (26 mL, 6 equiv). A solution of 1-bromo-3-formyl-benzaldehyde (12.0 g, 56 mmol), hydroxylamine hydrochloride (19.4 g, 5 equiv), EtOH (100 mL) and pyridine (10 mL) was heated to 65° C. for 16 h. step 2-A solution of the aldehyde R-21b (12.0 g, 56 mmol), hydroxylamine hydrochloride (19.4 g, 5 equiv), EtOH (100 mL) and pyridine (10 mL) was heated to 65° C. for 16 h. The mixture was cooled to RT, and partitioned between 50percent EtOAc/hexanes and water. The organic layer was washed with brine and dried (MgSOA mixture of To 782
Computed Properties
Molecular Weight:212.04
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:210.96328
Monoisotopic Mass:210.96328
Topological Polar Surface Area:33
Heavy Atom Count:11
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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