2-Bromo-5-hydroxybenzaldehyde
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2-Bromo-5-hydroxybenzaldehyde
structure -
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CAS No:
2973-80-0
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Formula:
C7H5BrO2
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Chemical Name:
2-Bromo-5-hydroxybenzaldehyde
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Synonyms:
Benzaldehyde,2-bromo-5-hydroxy-;2-Bromo-5-hydroxybenzaldehyde;6-Bromo-3-hydroxybenzaldehyde;5-Hydroxy-2-bromobenzaldehyde
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CAS No:
Characteristics
37.3
1.7
Solid
1.737±0.06 g/cm3(Predicted)
135 °C
286.7°C at 760 mmHg
127.2ºC
1.657
soluble in chloroform, dichloromethane and ethyl acetate.
Room temperature.
0.00151mmHg at 25°C
Safety Information
Ⅲ
9
UN 3077
3
36/37/38-50-22
26-36/37/39-61
Xi,N,Xn
Irritant
P264, P270, P273, P301+P312, P330, P391, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, P391, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Bromo-5-hydroxybenzaldehyde Use and Manufacturing
3-Hydroxybenzaldehyde (120g, 0.98 moles) was suspended in 2400 ML OF CH2CL2 in a 5L 4-neck round bottom flask equipped with overhead stirrer, temperature probe, addition funnel, and condenser. The mixture was heated to 35-40° C in order to dissolve the starting material. Bromine (52 mL, 1.0 moles, 1.02 eq. ) was added dropwise through the addition funnel at a rate which maintained the reaction temperature between 35-38° C. The mixture was then allowed to stir overnight at 35 C. THE mixture was slowly cooled to-5-0° C over two hours and then allowed to stir at that temperature for lh more. The solid which formed was then collected by filtration through a Buchner funnel and the filter cake washed with 400mL of a cold 1 : 1 CHZCHEPTANE solution. The gray solid was then dried in vacuo (0.2mm Hg) at room temperature. Yield = 124.3g (63percent).
A reactant used in the preparation of many pharmaceutical agents: Bcl-XL, PDE4 inhibitors, inhibitors of prostate cancer cell growth and anti-inflamatory agents.
Computed Properties
Molecular Weight:201.02
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:199.94729
Monoisotopic Mass:199.94729
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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