6-Bromovanillin
-
6-Bromovanillin
structure -
-
CAS No:
60632-40-8
-
Formula:
C8H7BrO3
-
Chemical Name:
6-Bromovanillin
-
Synonyms:
6-BROMOVANILLIN;AKOS B004167;2-BROMO-4-HYDROXY-5-METHOXYBENZALDEHYDE;ART-CHEM-BB B004167;CHEMBRDG-BB 3004167;6-BROMOVANILLIN/2-BROMO-4-HYDROXY-5-METHOXYBENZALDEHYDE;2-bromo-4-hydroxy-5-methoxybenzaldehyde(SALTDATA: FREE);Vanillin, 6-bromo-
-
CAS No:
Safety Information
IRRITANT
Xi
P261, P264, P270, P285, P301+P312, P304+P341, P330, P342+P311, P501
H302
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P285, P301+P312, P304+P341, P330, P342+P311, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
6-Bromovanillin Use and Manufacturing
Reference Example 55 2-bromo-4-hydroxy-5-methoxybenzaldehyde; To a solution (120 mL) of potassium bromide (10.3 g) in water were added 4-formyl-2-methoxyphenyl acetate (5.00 g) and bromine (1.42 mL), and the mixture was stirred at room temperature for 8 hr. The precipitate was collected by filtration, and washed with water. To the obtained solid was added 6 N hydrochloric acid (120 mL), and the mixture was stirred at 90°C for 16 hr. The precipitate was collected by filtration, and washed with saturated aqueous sodium hydrogen carbonate and water. The obtained solid was dissolved in ethyl acetate, and the mixture was filtered through silica gel to give the title compound as a pale-yellow solid (yield: 4.88 g). The obtained solid was recrystallized from ethyl acetate/n-heptane to give the title compound as a pale-yellow solid (yield: 3.98 g, 68percent). HCL (25 mL, 6 mol/L) was added to compound 21 (1.0 g, 3.7 mmol), and stirred at 90 °C for 4 h. After cooling in air, the resultant solid was filtered, washed with water and dried to give compound 22 (0.80 g, 3.5 mmol, 95percent yield).CommentA mixture of 140 (66 g, 243 mmoi) in 6 N 1-ICI aqueous solution (1.0 L) is stirred at 9() °C for 10 hours and then cooled to room temperature. The solid is collected by filtration, washed with water, and dried to give Ci as a white solid (50 g, 90percent yield). (MS:[MH-HJ 232.2)
Computed Properties
Molecular Weight:231.04
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:229.95786
Monoisotopic Mass:229.95786
Topological Polar Surface Area:46.5
Heavy Atom Count:12
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes