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[ CAS No. 1097871-23-2 ]

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2D
Chemical Structure| 1097871-23-2
Chemical Structure| 1097871-23-2
Structure of 1097871-23-2 *Storage: {[proInfo.prStorage]}

Quality Control of [ 1097871-23-2 ]

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Related Doc. of [ 1097871-23-2 ]

SDS

Product Details of [ 1097871-23-2 ]

CAS No. :1097871-23-2MDL No. :MFCD18379746
Formula :C6H2ClF2IBoiling Point :218.6±35.0°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :274.43Pubchem ID :51000088
Synonyms :

Computed Properties of [ 1097871-23-2 ]

TPSA : 0 H-Bond Acceptor Count : 2
XLogP3 : 3.4 H-Bond Donor Count : 0
SP3 : 0.00 Rotatable Bond Count : 0

Safety of [ 1097871-23-2 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305 P351 P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1097871-23-2 ]

  • Upstream synthesis route of [ 1097871-23-2 ]
  • Downstream synthetic route of [ 1097871-23-2 ]

[ 1097871-23-2 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 2367-91-1 ]
  • [ 1097871-23-2 ]
YieldReaction ConditionsOperation in experiment
74% at 0 - 20℃; for 2.17 h; Trifluoromethanesulfonic acid (9.9 mL, 110 mmol) was added to 2-chloro-1,4-difluorobenzene (2.2 g, 15 mmol) at room temperature and then cooled to 0°C. N- Iodosuccinimide (3.16 g, 14.1 mmol) was then added in multiple portions. After 10 minutes, the reaction mixture was allowed to warm to room temperature and stirred for 2 hours. The reaction mixture was poured over ice-water and extracted with hexane. The organic layer was washed with saturated Na2SO4, dried and concentrated. The crude product was purified by silica gel chromatography (100percent hexanes) to give l-chloro-2,5-difluoro-4-iodobenzene (3.0 g, 74percent). 1H NMR (400 MHz, CDCl3) δ 7.52 (dd, J = 5.4, 7.8, IH), 7.17 - 7.08 (m, IH).
Reference: [1] Patent: WO2009/6567, 2009, A2. Location in patent: Page/Page column 97
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