| Identification | Back Directory | [Name]
1-(5-Bromo-2-nitro-phenyl)-ethanone | [CAS]
41877-24-1 | [Synonyms]
1-(5-Bromo-2-nitrophenyl)
5'-Bromo-2'-nitroacetophenone
1-(5-Bromo-2-nitro-phenyl)-ethano
1-(5-Bromo-2-nitro-phenyl)-ethanone
1-(5-Bromo-2-nitrophenyl)ethan-1-one
Ethanone, 1-(5-bromo-2-nitrophenyl)-
5-BroMo-2-nitroacetophenone (1-(5-broMo-2-nitrophenyl)-ethanone) | [Molecular Formula]
C8H6BrNO3 | [MDL Number]
MFCD10698995 | [MOL File]
41877-24-1.mol | [Molecular Weight]
244.04 |
| Chemical Properties | Back Directory | [Melting point ]
92-94 °C | [Boiling point ]
345.6±27.0 °C(Predicted) | [density ]
1.637±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [Appearance]
Off-white to yellow Solid | [InChI]
InChI=1S/C8H6BrNO3/c1-5(11)7-4-6(9)2-3-8(7)10(12)13/h2-4H,1H3 | [InChIKey]
AFDAUYYWZNNSFV-UHFFFAOYSA-N | [SMILES]
C(=O)(C1=CC(Br)=CC=C1[N+]([O-])=O)C |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 1-(5-bromo-2-nitrophenyl)ethanone from 3'-bromoacetophenone: 100 g of 3'-bromoacetophenone was slowly added dropwise to 500 ml of a mixture of sulfuric acid and nitric acid (1:7, v/v), pre-cooled to -20°C, kept the reaction temperature at -20°C and stirred overnight. Upon completion of the reaction, the reaction mixture was quenched by pouring it into ice water, and the precipitate was collected by filtration to give 107 g of 2-nitro-5-bromoacetophenone, the product was a yellow solid in 87% yield. | [References]
[1] Patent: CN102898374, 2016, B. Location in patent: Paragraph 0027-0029
[2] Chemical Communications, 2015, vol. 52, # 2, p. 331 - 334
[3] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 11, p. 2504 - 2518
[4] Journal of the American Chemical Society, 1996, vol. 118, # 34, p. 8127 - 8135 |
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