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4-FLUOROBENZOYLACETONITRILE

4-FLUOROBENZOYLACETONITRILE ??? ???
?? ??:
4640-67-9
???:
4-FLUOROBENZOYLACETONITRILE
???(??):
3-(4-FLUOROPHENYL)-3-OXOPROPANENITRILE;P-FLUOROBENZOYLACETONITRILE;AKOS B020924;BUTTPARK 34\07-91;ART-CHEM-BB B020924;4-Fluorophenacyl cyanide;4-Fluorobenzoylacetitrile;4-Fluorbenzoylacetonitrile;4-FLUOROBENZOYLACETONITRILE;4-FLUOROBENZOYLACETONITRILE 96%
CBNumber:
CB7741687
???:
C9H6FNO
??? ??:
163.15
MOL ??:
4640-67-9.mol

4-FLUOROBENZOYLACETONITRILE ??

???
84-88 °C
?? ?
311.9±22.0 °C(Predicted)
??
1+-.0.06 g/cm3(Predicted)
?? ??
Sealed in dry,Room Temperature
???
????????, ???????? ?????.
??? ??
??
??? ??
??? ??
?? ?? (pKa)
7.67±0.10(Predicted)
??
???
?? ??(λmax)
247nm(EtOH)(lit.)
InChI
InChI=1S/C9H6FNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2
InChIKey
LOJBBLDAJBJVBZ-UHFFFAOYSA-N
SMILES
C1(=CC=C(F)C=C1)C(=O)CC#N
CAS ??????
4640-67-9(CAS DataBase Reference)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xi,Xn
?? ???? ?? 36/37/38-22
????? 26-36/37/39
WGK ?? 3
?? ?? ?? Irritant
?? ?? 6.1
HS ?? 29269090
???? ??? 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
????(GHS): Exclamation Mark (GHS07)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H302 ??? ??? ?? ?? ?? - ?? ?? 4 ?? P264, P270, P301+P312, P330, P501
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? P264, P280, P305+P351+P338,P337+P313P
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ??
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P270 ? ??? ??? ??? ???, ???? ???? ???.
P301+P312 ??? ???? ??? ????(??)? ??? ????.
P302+P352 ??? ??? ??? ?? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
NFPA 704
1
2 0

4-FLUOROBENZOYLACETONITRILE C??? ??, ??, ??

??? ??

White to light brown solid

??

4-Fluorobenzoylacetonitrile is used as a reagent in the synthesis of Blonanserin (B595850); a 5-HT2 serotonin receptor and D2 dopamine receptor antagonist, used as an antipsychotic. 4-Fluorobenzoylacetonitrile is also used in the preparation of pyrazolopyrimidines as potential antimicrobial and antioxidant agents.

4-FLUOROBENZOYLACETONITRILE ?? ?? ? ???

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?? ??


4-FLUOROBENZOYLACETONITRILE ?? ??

???( 349)?? ??
??? ?? ??? ?? ?? ? ??
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4-FLUOROBENZOYLACETONITRILE ?? ??:

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