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Home > Encyclopedia > 5-bromo-6-nitro-2,3-dihydro-1H-inden-1-one

5-bromo-6-nitro-2,3-dihydro-1H-inden-1-one

5-bromo-6-nitro-2,3-dihydro-1H-inden-1-one structure

5-bromo-6-nitro-2,3-dihydro-1H-inden-1-one 

structure
  • CAS No:

    723760-74-5

  • Formula:

    C9H6BrNO3

  • Chemical Name:

    5-bromo-6-nitro-2,3-dihydro-1H-inden-1-one

  • Synonyms:

    5-bromo-6-nitro-2,3-dihydro-1H-inden-1-one;5-bromo-6-nitroindan-1-one;5-bromo-6-nitro-indan-1-one;SCHEMBL1090688;KS-00000OGU;DTXSID80704392;ZINC71257040;AKOS015924489;AK-42223;DS-14051

5-bromo-6-nitro-2,3-dihydro-1H-inden-1-one Basic Attributes

256

254.95300

DTXSID80704392

2914700090

Characteristics

62.9

2.2

357.9±42.0°C at 760 mmHg

5-bromo-6-nitro-2,3-dihydro-1H-inden-1-one Use and Manufacturing

Fuming nitric acid (166 ml) is cooled TO-15°C, and 5-bromoindan-1-one (25 g, 0.118 mol) is then added portionwise. After stirring for 4 hours 30 minutes at BETWEEN-10°C AND-15°C, the reaction mass is poured into ice-cold water (1600 ML). The precipitate is filtered off by suction, washed with water and taken up in dichloromethane to be dried over NA2SO4. The evaporation residue (25.8 g) is purified by crystallisation from ethanol (15.3 g, yield : 51percent). m. p. = 130°C 1H NMR-CDCI3-6 (ppm): 2.75-2. 82 (m, 2H); 3.18-3. 25 (m, 2H); 7.89 (s, 1H); 8.10 (s, 1H).Fuming nitric acid (25 mL) was cooled to -15° C. and 5-bromoindan-1-one (3.5 g, 0.0165 mol) was then added portionwise.

Computed Properties

Molecular Weight:256.05
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Exact Mass:254.95311
Monoisotopic Mass:254.95311
Topological Polar Surface Area:62.9
Heavy Atom Count:14
Complexity:276
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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