ChemicalBook--->CAS DataBase List--->640280-28-0

640280-28-0

640280-28-0 Structure

640280-28-0 Structure
IdentificationBack Directory
[Name]

4-Bromo-3-iodobenzotrifluoride
[CAS]

640280-28-0
[Synonyms]

1-Bromo-2-iodo-4-(trifL
4-Bromo-3-Iodobenzotrifluorid
4-Bromo-3-iodobenzotrifluoride
4-bromo-3-iodo-trifluoromethylbenzene
1-Bromo-2-iodo-4-(trifluoromethyl)benzene
4-BroMo-2-iodo-4-(trifluoroMethyl)benzene
1-Iodo-2-bromo-5-(trifluoromethyl)benzene
Benzene, 1-bromo-2-iodo-4-(trifluoromethyl)-
5-broMo-1-iodo-5-(trifluoroMethyl)cyclohexa-1,3-diene
4-Bromo-3-iodo-alpha,alpha,alpha-trifluorotoluene, 1-Bromo-2-iodo-4-(trifluoromethyl)b
4-Bromo-3-iodo-alpha,alpha,alpha-trifluorotoluene, 1-Bromo-2-iodo-4-(trifluoromethyl)benzene
[Molecular Formula]

C7H3BrF3I
[MDL Number]

MFCD09800691
[MOL File]

640280-28-0.mol
[Molecular Weight]

350.902
Chemical PropertiesBack Directory
[Boiling point ]

262℃
[density ]

2.176
[Fp ]

112℃
[storage temp. ]

Room temperature.
[Appearance]

Colorless to light yellow Liquid
[Sensitive ]

Light Sensitive
[InChI]

InChI=1S/C7H3BrF3I/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H
[InChIKey]

NBSGEAPKXCFNTH-UHFFFAOYSA-N
[SMILES]

C1(Br)=CC=C(C(F)(F)F)C=C1I
[CAS DataBase Reference]

640280-28-0
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[HS Code ]

2903998090
Hazard InformationBack Directory
[Chemical Properties]

Light yellow liquid
[Synthesis]

4-Bromobenzotrifluoride

402-43-7

4-Bromo-3-iodobenzotrifluoride

640280-28-0

The general procedure for the synthesis of 4-bromo-3-iodobenzotrifluoride from p-bromobenzotrifluoride was as follows: 4-bromobenzotrifluoride (35 mL, 0.25 mol) was dissolved in 100 mL of trifluoromethanesulfonic acid at room temperature. Subsequently, N-iodosuccinimide (59 g, 0.26 mol) was added in batches over a period of 5 minutes and the resulting dark-colored mixture was continued to be stirred at room temperature for 15 hours. Upon completion of the reaction, the reaction mixture was poured over 300 g of ice. After the ice was completely melted, the aqueous phase was extracted with ether (3 × 100 mL). All organic phases were combined and washed sequentially with saturated sodium carbonate solution, water and brine and then dried with anhydrous magnesium sulfate. After filtration to remove the desiccant, the solvent was evaporated and the remaining liquid was distilled under vacuum (0.25 mbar) to give 4-bromo-3-iodobenzotrifluoride (85 g, 85% yield) as a clear liquid with a boiling point in the range of 62-64 °C.

[References]

[1] Heterocycles, 2007, vol. 74, # C, p. 683 - 700
[2] Angewandte Chemie - International Edition, 2008, vol. 47, # 42, p. 8108 - 8111
[3] Chemistry - A European Journal, 2016, vol. 22, # 28, p. 9687 - 9692
[4] Patent: WO2006/8558, 2006, A1. Location in patent: Page/Page column 45
[5] Journal of the American Chemical Society, 2008, vol. 130, # 2, p. 472 - 480
Spectrum DetailBack Directory
[Spectrum Detail]

4-Bromo-3-iodobenzotrifluoride(640280-28-0)1HNMR
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