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[ CAS No. 95383-26-9 ]

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2D
Chemical Structure| 95383-26-9
Chemical Structure| 95383-26-9
Structure of 95383-26-9 *Storage: {[proInfo.prStorage]}

Quality Control of [ 95383-26-9 ]

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Related Doc. of [ 95383-26-9 ]

SDS

Product Details of [ 95383-26-9 ]

CAS No. :95383-26-9MDL No. :MFCD15527529
Formula :C8H6BrFO3Boiling Point :317.9±42.0°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :249.03Pubchem ID :18468178
Synonyms :

Computed Properties of [ 95383-26-9 ]

TPSA : 46.5 H-Bond Acceptor Count : 4
XLogP3 : 2.2 H-Bond Donor Count : 1
SP3 : 0.13 Rotatable Bond Count : 2

Safety of [ 95383-26-9 ]

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

Application In Synthesis of [ 95383-26-9 ]

  • Upstream synthesis route of [ 95383-26-9 ]
  • Downstream synthetic route of [ 95383-26-9 ]

[ 95383-26-9 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 395-82-4 ]
  • [ 95383-26-9 ]
YieldReaction ConditionsOperation in experiment
96% at 10 - 35℃; for 2.00 h; ( Step 1 )To a solution of 4-fluoro-2-methoxybenzoic acid (1.70 g) in acetic acid (20 mL) was added bromine (0.56 mL) at room temperature, and the mixture was stirred for 2 hr. Water was added to the reaction mixture, and the precipitate was collected by filtration with water and hexane to give 5-bromo-4-fluoro-2-methoxybenzoic acid (2.38 g, 96percent) as a white powder.1H-NMR (300MHz, CDCl3): δ 4.07 (3H, s) , 6.86 (IH, d, J=9.6Hz), 8.39 (IH, d, J=7.8Hz)
Reference: [1] Patent: WO2007/15588, 2007, A1. Location in patent: Page/Page column 90-91
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