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Chemical Structure| 612498-85-8 Chemical Structure| 612498-85-8

Structure of 612498-85-8

Chemical Structure| 612498-85-8

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Product Details of [ 612498-85-8 ]

CAS No. :612498-85-8
Formula : C7H4F3NO3
M.W : 207.11
SMILES Code : OC1=CC([N+]([O-])=O)=CC=C1C(F)(F)F
MDL No. :MFCD16606321
InChI Key :MAYPOULSOMISHH-UHFFFAOYSA-N
Pubchem ID :21959586

Safety of [ 612498-85-8 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H315-H317-H318-H410
Precautionary Statements:P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P391-P501
Class:9
UN#:3077
Packing Group:

Application In Synthesis of [ 612498-85-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 612498-85-8 ]

[ 612498-85-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 453560-74-2 ]
  • [ 77337-82-7 ]
  • [ 52427-05-1 ]
  • [ 612498-85-8 ]
YieldReaction ConditionsOperation in experiment
With pyridine hydrochloride; at 210℃; for 0.666667h; To a mixture of 2-methoxy-4-nitro-1-(trifluoromethyl)benzene and 1-bromo-2-methoxy-4-nitro-benzene (16 g, crude) was added pyridine hydrochloride (100 g, 860 mmol) and the reaction mixture was stirred at 210° C. for 40 min. Then the mixture was poured into ice-water and extracted with EtOAc (80 mL*3). The combined organic layers were washed with water (100 mL*2) and brine (50 mL), dried over anhydrous Na2SO4 and purified by silica gel column chromatography (5percent EtOAc in petroleum as eluant) to afford 5-nitro-2-(trifluoromethyl)phenol and 2-bromo-5-nitrophenol (10 g, crude). 1H-NMR (300 MHz, CDCl3) delta 7.86-7.80 (m, 3H), 7.72-7.63 (m, 3H)
 

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