1-FLUORO-3-IODO-5-NITROBENZENE
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1-FLUORO-3-IODO-5-NITROBENZENE
structure -
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CAS No:
3819-88-3
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Formula:
C6H3FINO2
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Chemical Name:
1-FLUORO-3-IODO-5-NITROBENZENE
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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%
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CAS No:
Characteristics
45.8
2.5
Yellow to khaki or brown Powder and/or Chunks
2.1±0.1 g/cm3
77-79 °C(lit.)
277.7ºC at 760mmHg
121.7±21.8 °C
1.635
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-FLUORO-3-IODO-5-NITROBENZENE Use and Manufacturing
In a Schlenk reaction tube equipped with a magnetic stirrer, 6.7 mg of palladium trifluoroacetate was added.Cuprous oxide 28.6mg, Potassium phosphate 6.4mg, 4-fluoro-2-nitrobenzoic acid 37mg, Sodium iodide 36mg, Bismuth nitrate pentahydrate 194 mg and 2 mL of dimethyl sulfoxide.The reaction was heated at 170°C for 20 hours in the presence of oxygen.After the reaction is completed, Distilled water is added to quench the reaction, Extraction with ethyl acetate 3 timesEach time 10 mL, the combined organic phases are concentrated, 1-fluoro-3-iodo-5-nitrobenzene 29.4 mg was obtained, The yield is 55percent.1-Fluoro-3-nitroiodobenzene 1-Fluoro-3-nitroiodobenzene 1-Fluoro-3-nitroiodobenzene
Computed Properties
Molecular Weight:267.00
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Exact Mass:266.91925
Monoisotopic Mass:266.91925
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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