4-(BROMOMETHYL)-2,1,3-BENZOXADIAZOLE
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4-(BROMOMETHYL)-2,1,3-BENZOXADIAZOLE
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CAS No:
32863-30-2
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Formula:
C7H5BrN2O
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Chemical Name:
4-(BROMOMETHYL)-2,1,3-BENZOXADIAZOLE
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Synonyms:
4-(bromomethyl)-2,1,3-benzoxadiazole;4-(bromomethyl)benzo[c][1,2,5]oxadiazole;5-bromomethylbenz[1,2,5]oxadiazole;BROMODIETHYLALUMINUM;AMBZ0245;SCHEMBL4613141;CTK4G9464;DTXSID40383586;ZINC158668;SBB094731
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CAS No:
Safety Information
36/37/38-22
26-37/39
Xn
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
4-(BROMOMETHYL)-2,1,3-BENZOXADIAZOLE Use and Manufacturing
4-methylbenzimidazol (13. 4 g, 100 mmol)Was dissolved in carbon tetrachloride (150 ml) and addedNBS (23.5 g, 132 mmol)And Bz202 (0.29 g, 1.2 mmol), The mixture was warmed to 80-85 ° C. After the reaction was completed, the reaction system was reduced to 40 ° C. The mixture was filtered, washed with chloroform and the solvent was evaporated under reduced pressure to give the crude product (25. 6 g). Recrystallization from petroleum ether- A pale yellow needle-like crystals, 4-bromomethylbenzene bark (15. 3g). The yield was 77.6percent mp 94-95 ° C.
Computed Properties
Molecular Weight:213.03
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:211.95853
Monoisotopic Mass:211.95853
Topological Polar Surface Area:38.9
Heavy Atom Count:11
Complexity:144
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-(BROMOMETHYL)-2,1,3-BENZOXADIAZOLE
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