4-(4-NITRO-BENZOYL)-BENZOICACID
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4-(4-NITRO-BENZOYL)-BENZOICACID
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CAS No:
7377-13-1
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Formula:
C14H9NO5
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Chemical Name:
4-(4-NITRO-BENZOYL)-BENZOICACID
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Synonyms:
4-(4-Nitrobenzoyl)benzoic acid;4-(4-Nitro-benzoyl)-benzoic acid;Benzoic acid, 4-(4-nitrobenzoyl)-;NSC210284;Cambridge id 5127959;Oprea1_165913;CBDivE_001305;SCHEMBL4249231;CTK5D8624;KS-00000NRR
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CAS No:
4-(4-NITRO-BENZOYL)-BENZOICACID Use and Manufacturing
To an ice-cooled mixture of 6 (20.00 g, 0.08 mol) in glacial acetic acid (150 mL) was added sulfuric acid (28 mL) slowly to keep the temperature below 5 °C. Chromium oxide (28.00 g, 0.28 mol) was added in small portions at such a rate that the temperature did not exceed 10 °C. The reaction solution was stirred at room temperature overnight, then ice water (20 mL) was added. The precipitated solid was filtered, washed with water and dried to afford 7 22.0 g (85percent) of a white powder. mp 254-256 °C.A mixture of (4-nitrophenyl)(4-tolyl)methanone (12c) (0.50 g, 2.0 mmol) and Jones reagent (0.7 ml) in glacial acetic acid (4 ml) was heated under reflux for 4 h. The reaction mixture was then poured on crushed ice, and extracted with ethyl acetate (10 ml) three times. The organic layer was washed with water until the washings became neutral and was extracted with 10percent NaHCO
Computed Properties
Molecular Weight:271.22
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:271.04807239
Monoisotopic Mass:271.04807239
Topological Polar Surface Area:100
Heavy Atom Count:20
Complexity:387
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes