2-Fluoro-4-iodo-1-methylbenzene
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2-Fluoro-4-iodo-1-methylbenzene
structure -
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CAS No:
39998-81-7
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Formula:
C7H6FI
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Chemical Name:
2-Fluoro-4-iodo-1-methylbenzene
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Synonyms:
Benzene,2-fluoro-4-iodo-1-methyl-;2-Fluoro-4-iodo-1-methylbenzene;2-Fluoro-4-iodotoluene;4-Iodo-2-fluorotoluene
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CAS No:
2-Fluoro-4-iodo-1-methylbenzene Basic Attributes
236.03
236.03
2432998
254-740-6
OXZ7JMG1YB
DTXSID70193054
2903999090
Characteristics
0
3
colorless to light yellow liquid
1.8±0.1 g/cm3
22 °C
206-208°C
175 °F
1.581
H2O: Insoluble
Safety Information
IRRITANT
3
36/37/38
26-36/37/39-37/39
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|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Fluoro-4-iodo-1-methylbenzene Use and Manufacturing
General procedure: Rh(cod)2BF4(6 mol%), DPPP (0.09 mmol), Na2CO3 (1 mmol) and 4A MS (SiO2, powder, 150 mg) were transferred into an oven-dried tube (15 mL), which was evacuated and backfilled with N2 (5x). 2-Methyltetrahydrofuran (2.5 mL), alkyl or aryl iodide (1 mmol), HMF (1.2 mmol) were added into the tube via syringe and sealed with Teflon plug. The reaction mixture was stirred at 125 C for24 h. After the reaction was complete, the mixture was concentrated by rotary evaporation. The crude product was purified by column chromatography (EA/PE = 1/20) on a silica gel to afford the desired product.
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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