2-Fluoro-1-iodo-4-methylbenzene
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2-Fluoro-1-iodo-4-methylbenzene
structure -
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CAS No:
452-79-9
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Formula:
C7H6FI
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Chemical Name:
2-Fluoro-1-iodo-4-methylbenzene
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Synonyms:
Benzene,2-fluoro-1-iodo-4-methyl-;Toluene,3-fluoro-4-iodo-;2-Fluoro-1-iodo-4-methylbenzene;3-Fluoro-4-iodotoluene
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CAS No:
Characteristics
0
3
colorless to light yellow liqui
1.803 g/mL at 25 °C(lit.)
138-139 °C @ Press: 9 Torr
199 °F
n20/D 1.5810(lit.)
0.285mmHg at 25°C
Safety Information
3
52/53
23-24/25-61-60
Xi
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-Fluoro-1-iodo-4-methylbenzene Use and Manufacturing
Under dry nitrogen, a solution prepared by dissolving 4-bromo-3-fluorotoluene (10 g) in THF (50 mE) was cooled to —72° C. Then, a 1.6 mol/E n-butyl lithium hexane solution (35 mE) was added at —72° C. to the solution such a rate that the inside temperature was not more than —65° C., followed by thrther stirring at —72° C. for 1 hour. A solution prepared by dissolving iodine (14.8 g) in THF (30 mE) was added at —72° C. to the resultant mixture such a rate that the inside temperature was not more than —60° C., and the temperature was slowly increased to room temperature. Then, a saturated aqueous ammonium chloride solution and hexane were added at room temperature to separate an organic layer, and the organic layer was washed with a 10percent aqueous sodium sulfite solution two times and saturated brine in that order, and then dried with sodium sulfate. The sodium sulfate was filtered off, and the organic solvent was distilled off under reduced pressure. The residue was purified by silica gel column chromatography to yield 13.0 g of 3-fluoro-4-iodotoluene as a yellow liquid.Preparation 8
Computed Properties
Molecular Weight:236.02
XLogP3:3
Hydrogen Bond Acceptor Count:1
Exact Mass:235.94983
Monoisotopic Mass:235.94983
Heavy Atom Count:9
Complexity:94.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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