2-Bromobenzamide
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2-Bromobenzamide
structure -
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CAS No:
4001-73-4
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Formula:
C7H6BrNO
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Chemical Name:
2-Bromobenzamide
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Synonyms:
Benzamide,2-bromo-;Benzamide,o-bromo-;2-Bromobenzamide;o-Bromobenzamide;NSC 10071;2-Carbamoyl-1-bromobenzene
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CAS No:
Characteristics
43.1
0.8
1.6±0.1 g/cm3
160.5 °C
158-161 °C @ Press: 12 Torr
134.0±22.6 °C
1.606
Slightly soluble in water.
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S37/39
Xi: Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|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|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Bromobenzamide Use and Manufacturing
2-Bromobenzaldehyde oxime was added (100 mg, 0.5 mmol) and water (1 ml) were added in that order to the reaction mixture, followed by the addition of a mixture of 2-bromobenzaldehyde oxime (100.0 mg, 0.5 mmol), [Cp * Ir (H20) 3] [0Tf] To a 25 ml Schlenk reaction flask. The reaction mixture was allowed to react at 110 ° C for 12 hours, then cooled to room temperature. The water was removed by rotary evaporation, and the product was isolated by column chromatography. Yield: 80percent. 7.H NMR (500MHz, DMS0-d6)? 7.88 (br s, 1 H, N H' O), 7. 64-7.58 (m, 2 H, ArH), 7. 41-7.34 13C NMR (125 MHz, DMS0-d6)? 169. 0, 139. 3, 132. 7, 130. 6, 128. 5, 127. 5, 118. 6General procedure: Aldoxime (0.25 mmol), cobalt acetate(II) tetrahydrate (6.2 mg, 0.025 mmol), 2-nitro-1-naphthol (9.5 mg, 0.05 mmol) and acetonitrile/H2O (0.01 + 0.24 mL, 4 v/vpercent of acetonitrile in water) were added to an oven-dried vial. The mixture was vigorously stirred at 80 °C for24 h and then diluted with ethyl acetate. Solvent was removed in vacuo, and the desired product was purified and isolated by silica gel column chromatography (ethyl acetate/n-hexane).Add 8.8 mL (0.065 mol) to three-neck flask CAmmonia with a relative density of 0.905 or less, stirring, 11 g (0.05 mol) of 2-bromobenzoyl chloride was added dropwise below 40°C.After mixing, stir for 30 minutes.Until there is no smell of 2-bromobenzoyl chloride.The crude product is filtered, washed with water, and recrystallized from distilled water to obtain the product 2-bromobenzamide 10.05 g.Yield 92percent, purity 98.3percent;2-bromobenzonitrile (182 mg, 1 mmol), [Cp * Rh (H,
Computed Properties
Molecular Weight:200.03
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:198.96328
Monoisotopic Mass:198.96328
Topological Polar Surface Area:43.1
Heavy Atom Count:10
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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