ChemicalBook--->CAS DataBase List--->148836-41-3

148836-41-3

148836-41-3 Structure

148836-41-3 Structure
IdentificationBack Directory
[Name]

1-BROMO-4-CHLORO-2-IODOBENZENE
[CAS]

148836-41-3
[Synonyms]

5-Chloro-2-Bromoiodobenzene
2-BroMo-5-chloroiodobenzene
1-BROMO-4-CHLORO-2-IODOBENZENE
Benzene, 1-bromo-4-chloro-2-iodo-
1-BROMO-4-CHLORO-2-IODOBENZENE ISO 9001:2015 REACH
[Molecular Formula]

C6H3BrClI
[MDL Number]

MFCD00672943
[MOL File]

148836-41-3.mol
[Molecular Weight]

317.35
Chemical PropertiesBack Directory
[Melting point ]

32-33℃
[Boiling point ]

279℃
[density ]

2.272
[Fp ]

123℃
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[Appearance]

Colorless to light yellow <32°C Solid,>33°C Liquid
[InChI]

InChI=1S/C6H3BrClI/c7-5-2-1-4(8)3-6(5)9/h1-3H
[InChIKey]

ROJJKFAXAOCLKK-UHFFFAOYSA-N
[SMILES]

C1(Br)=CC=C(Cl)C=C1I
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2903998090
Spectrum DetailBack Directory
[Spectrum Detail]

1-BROMO-4-CHLORO-2-IODOBENZENE(148836-41-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-BROMO-5-CHLOROANILINE

823-57-4

1-BROMO-4-CHLORO-2-IODOBENZENE

148836-41-3

The general procedure for the synthesis of 1-bromo-4-chloro-2-iodobenzene from 2-bromo-5-chloroaniline was as follows: 2-bromo-5-chloroaniline (50 g, 242.16 mmol) was dissolved in hydrochloric acid (500 ml) and the mixture was stirred at 0°C. Subsequently, a solution of sodium nitrite (NaNO2, 17.5 g, 253.62 mmol) dissolved in water (50 ml) was added dropwise to the reaction mixture over a period of 1 hour, keeping the temperature at -10°C. Next, a solution of potassium iodide (KI, 44.2 g, 266.26 mmol) dissolved in water (50 ml) was added dropwise to the reaction system at 0°C with continuous stirring for 1 hour. After completion of the reaction, the reaction mixture was extracted with ethyl acetate, filtered and the organic phase was dried with magnesium sulfate (MgSO4). The dried organic layer was filtered under reduced pressure and subsequently concentrated by evaporation under reduced pressure. Finally, the concentrate was purified by column chromatography to afford the target compound 1-bromo-4-chloro-2-iodobenzene (62 g, yield: 66%).

[References]

[1] Patent: KR2015/8658, 2015, A. Location in patent: Paragraph 0143-0145
[2] Angewandte Chemie - International Edition, 2008, vol. 47, # 5, p. 888 - 890
[3] Patent: WO2008/76427, 2008, A2. Location in patent: Page/Page column 185-186; 191
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