[ CAS No. 452-76-6 ]

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Ground (Domestic only) Free
Inaccessible (Haz class 6.1), Domestic USD 41.00
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2D
Chemical Structure| 452-76-6
Chemical Structure| 452-76-6
Structure of 452-76-6

Quality Control of [ 452-76-6 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 452-76-6 ]

SDS

Product Details of [ 452-76-6 ]

CAS No. :452-76-6MDL No. :MFCD00000332
Formula :C7H6F2Boiling Point :114.7°C at 760 mmHg
Linear Structure Formula :C6H3F2CH3InChI Key :-
M.W :128.12Pubchem ID :67983
Synonyms :

Computed Properties of [ 452-76-6 ]

TPSA : 0 H-Bond Acceptor Count : 2
XLogP3 : 2.5 H-Bond Donor Count : 0
SP3 : 0.14 Rotatable Bond Count : 0

Safety of [ 452-76-6 ]

Signal Word:DangerClass3
Precautionary Statements:P210UN#:1993
Hazard Statements:H225Packing Group:
GHS Pictogram:

Application In Synthesis of [ 452-76-6 ]

  • Upstream synthesis route of [ 452-76-6 ]

[ 452-76-6 ] Synthesis Path-Upstream   1~5

  • 1
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  • [ 2927-34-6 ]
YieldReaction ConditionsOperation in experiment
0.3 mmol With xenon difluoride; boron trifluoride diethyl etherate In acetonitrile at -25 - 22℃; General procedure: A glass reactor equipped with a Teflon-lined magnetic stir bar and connected to a gas-washing bottle was charged with C6H5R (0.95–1.14 mmol), MeCN (1–2.5 mL per mmol of C6H5R), and BF3 · Et2O (1.3–1.6 mmol per mmol of C6H5R). The solution was stirred for 10–15 min at –25°C, and XeF2 (1.2–1.3 mmol per mmol of C6H5R) was added in portions. The mixture was allowed to warm up to 22°C over a period of 1 h and stirred for 40–60 min more, hexafluorobenzene (internal standard) was added, and a sample was withdrawn for 19F NMR analysis (procedure B). The mixture was treated with a saturated aqueous solution of NaHCO3 and extracted with methylene chloride (1–2 mL). The extract was dried over MgSO4 and analyzed by 19F and GC/MS (procedure C). The main products are given in table, and the others are listed below (GC/MS data).
Reference: [1] Russian Journal of Organic Chemistry, 2016, vol. 52, # 10, p. 1400 - 1407[2] Zh. Org. Khim., 2016, vol. 52, # 10, p. 1412 - 1419,8
  • 2
  • [ 108-88-3 ]
  • [ 352-32-9 ]
  • [ 95-52-3 ]
  • [ 352-70-5 ]
  • [ 452-76-6 ]
Reference: [1] Journal of Fluorine Chemistry, 1981, vol. 18, p. 363 - 374
  • 3
  • [ 108-88-3 ]
  • [ 352-32-9 ]
  • [ 95-52-3 ]
  • [ 452-76-6 ]
Reference: [1] Journal of Fluorine Chemistry, 2004, vol. 125, # 12, p. 1873 - 1877
  • 4
  • [ 108-88-3 ]
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Reference: [1] Journal of Fluorine Chemistry, 1981, vol. 18, p. 363 - 374
  • 5
  • [ 367-29-3 ]
  • [ 452-76-6 ]
Reference: [1] Bulletin des Societes Chimiques Belges, 1960, vol. 69, p. 312 - 322
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