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4'-???-3'-?????????

4'-???-3'-?????????
4'-???-3'-????????? ??? ???
?? ??:
18640-58-9
???:
4'-???-3'-?????????
???(??):
4'-???-3'-?????????
???:
4'-Bromo-3'-nitroacetophenone
???(??):
NSC 111656;4-BROMO-3-NITROACETOPHENONE;3-Nitro-4-bromoacetophenone;4-bromo-3'-nitroacetophenone;4'-Bromo-3'-nitroacetophenone;Acetophenone, 4'-bromo-3'-nitro-;1-(4-BROMO-3-NITROPHENYL)ETHANONE;4'-Bromo-3'-nitroacetophenone 97%;4'-Bromo-3'-nitroacetophenone >4'-Bromo-3'-nitroacetophenone, 99+%
CBNumber:
CB1465910
???:
C8H6BrNO3
??? ??:
244.04
MOL ??:
18640-58-9.mol

4'-???-3'-????????? ??

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117-121 °C(lit.)
?? ?
275.4℃
??
1.637
???
1.6090 (estimate)
???
120.4℃
?? ??
Sealed in dry,Room Temperature
??? ??
??? ??
??
???? ?? ???
BRN
2050098
InChI
InChI=1S/C8H6BrNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3
InChIKey
YFVOFFKNHQTQQE-UHFFFAOYSA-N
SMILES
C(=O)(C1=CC=C(Br)C([N+]([O-])=O)=C1)C
CAS ??????
18640-58-9(CAS DataBase Reference)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xn
?? ???? ?? 20/21/22
????? 24/25
WGK ?? 3
HS ?? 29147000
????(GHS): GHS hazard pictograms
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ?? GHS hazard pictograms
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P280 ????/???/???/?????? ?????.
P304+P340 ???? ??? ??? ?? ??? ??? ???? ?? ??? ??? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
P405 ???? ?????.
NFPA 704
0
1 0

4'-???-3'-????????? C??? ??, ??, ??

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white to slightly yellow amorphous powder

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4′-Bromo-3′-nitroacetophenone is an electron deficient acetophenone derivative.

Synthesis

4'-Bromo-3'-nitroacetophenone is synthesised using 4'-Bromoacetophenone as a raw material by chemical reaction. The specific synthesis steps are as follows:
To fuming nitric acid (200 mL), l-(4- bromophenyl)-l-propanone (1-1) (40 g, 0.20 mol) was added while keeping the inside temperature of mixture at 5 to 10 0C. The reaction solution was stirred at this temperature for 30 minutes and then poured into ice. The precipitate was collected by filtration, washed with distilled water (25 mL x 2) and re-crystallized from methanol to give 1-2 (18 g, 37percent yield). 1H NMR (500 MHz, CDCl3) δ 8.38 (IH, d, J= 2.0 Hz), 7.99 (IH, dd, J= 8.2 Hz, 2.0 Hz), 7.86 (IH, d, J= 8.2Hz), 3.01 (2H, q, J= 7.1Hz), 1.25 (3H, t, J= 7.1Hz) ppm; LC-MS (ESI): m/z 244.0 (M+H)+.
4'-Bromo-3'-nitroacetophenone synthesis

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4'-???-3'-????????? ?? ??:

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