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192508-36-4

192508-36-4 Structure

192508-36-4 Structure
IdentificationBack Directory
[Name]

(4-FLUORO-3-NITROPHENYL)ACETIC ACID
[CAS]

192508-36-4
[Synonyms]

2-(4-Fluoro-3-nitrophenyl)
3-nitro-4-fluorophenylacetic acid
(4-FLUORO-3-NITROPHENYL)ACETIC ACID
2-(4-Fluoro-3-nitrophenyl)acetic acid
Benzeneacetic acid, 4-fluoro-3-nitro-
(4-FLUORO-3-NITROPHENYL)ACETIC ACID ISO 9001:2015 REACH
[Molecular Formula]

C8H6FNO4
[MDL Number]

MFCD09743463
[MOL File]

192508-36-4.mol
[Molecular Weight]

199.14
Chemical PropertiesBack Directory
[Boiling point ]

391.2±27.0 °C(Predicted)
[density ]

1.498±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

4.01±0.10(Predicted)
[Appearance]

Light yellow to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Spectrum DetailBack Directory
[Spectrum Detail]

(4-FLUORO-3-NITROPHENYL)ACETIC ACID(192508-36-4)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-Fluorophenylacetic acid

405-50-5

(4-FLUORO-3-NITROPHENYL)ACETIC ACID

192508-36-4

General procedure for the synthesis of 3-nitro-4-fluorophenylacetic acid from 4-fluorophenylacetic acid: to a solution of concentrated sulfuric acid (20 mL) of 4-fluorophenylacetic acid (3 g, 19.46 mmol) was added drop by drop of nitric acid (0.913 mL, 20.44 mmol) at 0 °C, and the reaction was stirred for 1 hour. After completion of the reaction, the mixture was slowly poured into ice water and extracted with dichloromethane (DCM, 2 x 20 mL). The organic phases were combined, washed with saturated brine, dried over anhydrous magnesium sulfate and concentrated to dryness under reduced pressure to give 3-nitro-4-fluorophenylacetic acid (3.48 g, 90% yield). Mass spectrum (ESI) m/z: 198.1 ([M-H]+).

[References]

[1] Patent: WO2013/134298, 2013, A1. Location in patent: Page/Page column 35
[2] Patent: WO2018/116107, 2018, A1. Location in patent: Page/Page column 25-26
[3] Patent: WO2004/89912, 2004, A1. Location in patent: Page 25
[4] Patent: US6218547, 2001, B1
[5] Patent: WO2013/131408, 2013, A1. Location in patent: Page/Page column 59
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