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5-???-2,1,3-??????

5-???-2,1,3-??????
5-???-2,1,3-?????? ??? ???
?? ??:
51376-06-8
???:
5-???-2,1,3-??????
???(??):
5-???-2,1,3-??????
???:
5-Bromobenzo[c][1,2,5]oxadiazole
???(??):
5-BROMO-2,1,3-BENZOXADIAZOLE;BUTTPARK 85\04-54;5-Bromobenzofurazan;5-Bromobenzofurazan,97%;2,1,3-Benzoxadiazole,5-bromo-;5-BROMOBENZO[1,2,5]OXA-DIAZOLE;5-Bromobenzo[c][1,2,5]oxadiazole
CBNumber:
CB0189006
???:
C6H3BrN2O
??? ??:
199
MOL ??:
51376-06-8.mol

5-???-2,1,3-?????? ??

???
72 °C
?? ?
255.8±32.0 °C(Predicted)
??
1.826±0.06 g/cm3(Predicted)
?? ??
Room temperature.
?? ?? (pKa)
-1.63±0.36(Predicted)
??? ??
??
??? ??
??? ??
??
Off-white to yellow Solid
InChI
InChI=1S/C6H3BrN2O/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H
InChIKey
ZWDFFESFCIACQC-UHFFFAOYSA-N
SMILES
N1=C2C=CC(Br)=CC2=NO1
CAS ??????
51376-06-8
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xi,Xn
?? ???? ?? 22
WGK ?? WGK 3
?? ?? ?? Irritant
HS ?? 2934999090
???? ??? 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
????(GHS): Exclamation Mark (GHS07)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? P264, P280, P305+P351+P338,P337+P313P
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ??
??????:
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
NFPA 704
0
2 0

5-???-2,1,3-?????? C??? ??, ??, ??

?? ??

Triphenylphosphine (1.1 mmol) was dissolved in dry toluene (3 mL) and stirred at 110°C under argon atmosphere; then 6-bromobenzo[c][1,2,5]oxadiazole 1-oxide (1 mmol) in toluene (0.5 mL) was added dropwise over 1 hour and the resulting mixture was stirred for 3 hours. After completion, the solvent was evaporated in vacuo, and the crude was purified through flash column chromatography (cyclohexane - diethyl ether 98:2) to afford 5-Bromobenzo[c][1,2,5]oxadiazole which is a pale pink solid.
5-BROMO-2,1,3-BENZOXADIAZOLE

5-???-2,1,3-?????? ?? ?? ? ???

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5-???-2,1,3-?????? ?? ??

???( 120)?? ??
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5-???-2,1,3-?????? ?? ??:

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