4-Bromo-3-chlorobenzaldehyde
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4-Bromo-3-chlorobenzaldehyde
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CAS No:
120077-69-2
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Formula:
C7H4BrClO
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Chemical Name:
4-Bromo-3-chlorobenzaldehyde
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Synonyms:
Benzaldehyde,4-bromo-3-chloro-;4-Bromo-3-chlorobenzaldehyde
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CAS No:
Characteristics
17.1
2.7
1.698±0.06 g/cm3(Predicted)
52 °C
281.3±25.0 °C(Predicted)
123.9±23.2 °C
1.623
0.004mmHg at 25°C
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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.
4-Bromo-3-chlorobenzaldehyde Use and Manufacturing
PREPARATION C : 4-bromo-3-chlorobenzaldehyde; Under argon, at -78°C, a 10 mL one-necked round bottomed flask was charged with 4-bromo-3-chloro-N-methoxy-N-methyl-benzamide (preparation B) (1.80 g, 6.46 mmol) in dry tetrahydrofuran (32 mL). Then, a 1M solution of diisobutylaluminiumhydride (8.4 mL, 8.40 mmol) was then added dropwise. The reaction mixture was stirred at -78°C during 1 hour. The reaction mixture was quenched with water (50 mL) and the aqueous layer was extracted with ethyl acetate (3 x 50 mL). The organic layer was washed with a 1 N hydrochloric acid solution (30 mL), water (30 mL), brine (30 mL), dried over anhydrous magnesium sulfate and evaporated in vacuo. The product was dried under high vacuum yielding 4-bromo-3-chlorobenzaldehyde (1.18 g, 84percent) as a yellow solid.
Computed Properties
Molecular Weight:219.46
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:217.91341
Monoisotopic Mass:217.91341
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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