| Identification | Back Directory | [Name]
1-FLUORO-3-IODO-5-NITROBENZENE | [CAS]
3819-88-3 | [Synonyms]
3-Fluoro-5-iodonitrobenzen
3-FLUORO-5-IODONITROBENZENE
3-NITRO-5-FLUORO-IODO-BENZENE
1-FLUORO-3-IODO-5-NITROBENZENE
BENZENE, 1-FLUORO-3-IODO-5-NITRO-
1-Fluoro-3-iodo-5-nitrobenzene,98% | [Molecular Formula]
C6H3FINO2 | [MDL Number]
MFCD00007219 | [MOL File]
3819-88-3.mol | [Molecular Weight]
267 |
| Chemical Properties | Back Directory | [Appearance]
yellow crystalline powder and chunks | [Melting point ]
77-79 °C(lit.)
| [Boiling point ]
277.7±20.0 °C(Predicted) | [density ]
2.093±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
soluble in Methanol | [form ]
Powder and/or Chunks | [color ]
Yellow to khaki or brown | [Sensitive ]
Light Sensitive | [InChI]
InChI=1S/C6H3FINO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H | [InChIKey]
MXPYCSFCKXSPAB-UHFFFAOYSA-N | [SMILES]
C1(F)=CC([N+]([O-])=O)=CC(I)=C1 |
| Hazard Information | Back Directory | [Chemical Properties]
yellow crystalline powder and chunks | [Uses]
1-Fluoro-3-iodo-5-nitrobenzene may be used in chemical synthesis. | [Synthesis]
In a Schlenk reaction tube equipped with a magnetic stirrer, 6.7 mg of palladium trifluoroacetate (Pd(TFA)2), 28.6 mg of cuprous oxide (Cu2O), 6.4 mg of potassium phosphate (K3PO4), 37 mg of 4-fluoro-2-nitrobenzoic acid, 36 mg of sodium iodide (NaI) and 194 mg of bismuth ammonium nitrate hydrate (Bi(NO3)3- 5H2O). The reaction mixture was heated to 170 °C under oxygen atmosphere with continuous stirring for 20 hours. Upon completion of the reaction, the reaction was quenched by the addition of an appropriate amount of distilled water, followed by extraction with ethyl acetate (10 mL each time) three times and combining the organic phases. The combined organic phases were concentrated to give 29.4 mg of 1-fluoro-3-iodo-5-nitrobenzene in 55% yield. | [References]
[1] Patent: CN107513020, 2017, A. Location in patent: Paragraph 0057-0058 |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
36/37/38 | [Safety Statements ]
26-36 | [WGK Germany ]
3
| [HS Code ]
29049090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
|
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