ChemicalBook--->CAS DataBase List--->1121-86-4

1121-86-4

1121-86-4 Structure

1121-86-4 Structure
IdentificationMore
[Name]

1-Fluoro-3-iodobenzene
[CAS]

1121-86-4
[Synonyms]

1-FLUORO-3-IODOBENZENE
3-FLUOROIODOBENZENE
M-FLUOROIODOBENZENE
1-fluoro-3-iodo-benzen
3-Iodofluorobenzene
m-Fluorobenzene
m-Iodofluorobenzene
3-Fluoroiodobenzene 99%
3-Fluoroiodobenzene99%
3-Fluoroiodobenzene (stabilized with Copper chip)
1-Fluoro-3-iodobenzene, 98+%
Benzene, 1-fluoro-3-iodo-
1-Iodo-3-fluorobenzene
3-Fluoro-1-iodobenzene
[EINECS(EC#)]

214-339-9
[Molecular Formula]

C6H4FI
[MDL Number]

MFCD00001044
[Molecular Weight]

222
[MOL File]

1121-86-4.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow or pink liquid
[Melting point ]

-42°C
[Boiling point ]

77-78 °C/19 mmHg (lit.)
[density ]

1.89 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.584(lit.)
[Fp ]

153 °F
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

Liquid
[color ]

Clear yellow or pink
[Specific Gravity]

1.890
[Sensitive ]

Light Sensitive
[BRN ]

2039305
[InChIKey]

VSKSBSORLCDRHS-UHFFFAOYSA-N
[CAS DataBase Reference]

1121-86-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-fluoro-3-iodo-(1121-86-4)
[EPA Substance Registry System]

1121-86-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

T
[HazardClass ]

IRRITANT
[HS Code ]

29039990
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Fluoro-3-iodobenzene(1121-86-4).msds
Hazard InformationBack Directory
[Chemical Properties]

clear yellow or pink liquid
[Uses]

3-Fluoroiodobenzene was used to prepare methyl 4-iodobenzo[b]thiophene-2-carboxylate, key intermediate for the synthesis of 4-substituted benzo[b]thiophene-2-carboxamidines.
[General Description]

3-Fluoroiodobenzene participates in palladium-catalyzed hydroarylation of arylpropiolamides.
[Synthesis]

3-Fluoroaniline

372-19-0

1-Fluoro-3-iodobenzene

1121-86-4

The general procedure for the synthesis of m-fluoroiodobenzene from 3-fluoroaniline was as follows: an aqueous solution (20 mL) of NaNO2 (6.4 g, 92.75 mmol) was slowly added dropwise at 0 °C to a solution of 3-fluoroaniline (10 g, 90.09 mmol) dissolved in 32% H2SO4 (179 g). The reaction mixture was stirred continuously at 0 °C for 1 hour. Subsequently, an aqueous solution (30 mL) of KI (22.4 g, 134.94 mmol) was added while maintaining 0 °C and stirring was continued at 0 °C for 1 hour. After completion of the reaction, the aqueous phase was extracted with EtOAc (2 x 250 mL). The organic phases were combined and washed sequentially with water (5×200mL) and 10% NaHSO3 solution (3×200mL), dried over Na2SO4 and concentrated under reduced pressure to remove the solvent, yielding 17.7 g of 1-fluoro-3-iodobenzene as a yellow solid in 82% yield.

[References]

[1] Patent: WO2008/103615, 2008, A1. Location in patent: Page/Page column 40
[2] Journal of the American Chemical Society, 1963, vol. 85, p. 709 - 724
Spectrum DetailBack Directory
[Spectrum Detail]

1-Fluoro-3-iodobenzene(1121-86-4)MS
1-Fluoro-3-iodobenzene(1121-86-4)1HNMR
1-Fluoro-3-iodobenzene(1121-86-4)13CNMR
1-Fluoro-3-iodobenzene(1121-86-4)IR1
1-Fluoro-3-iodobenzene(1121-86-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Fluoro-3-iodobenzene, 99%(1121-86-4)
[Alfa Aesar]

1-Fluoro-3-iodobenzene, 99%(1121-86-4)
[Sigma Aldrich]

1121-86-4(sigmaaldrich)
[TCI AMERICA]

3-Fluoroiodobenzene  (stabilized with Copper chip),>96.0%(GC)(1121-86-4)
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