ChemicalBook--->CAS DataBase List--->1036389-83-9

1036389-83-9

1036389-83-9 Structure

1036389-83-9 Structure
IdentificationBack Directory
[Name]

2-BroMo-4-fluoro-5-nitrobenzoic Acid
[CAS]

1036389-83-9
[Synonyms]

2-BroMo-4-fluoro-5-nitrobenzoic Acid
Benzoic acid, 2-bromo-4-fluoro-5-nitro-
[Molecular Formula]

C7H3BrFNO4
[MDL Number]

MFCD11847619
[MOL File]

1036389-83-9.mol
[Molecular Weight]

264.01
Chemical PropertiesBack Directory
[Boiling point ]

379.8±42.0 °C(Predicted)
[density ]

1.967±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

2.25±0.12(Predicted)
[Appearance]

Off-white to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

2-Bromo-4-fluoro-5-nitrobenzoic Acid, is a halogenated derivative of benzoic acid. It can be used for the synthesis of various pharmaceutical compounds, such as amino acid derivatives acting as anticoagulants.
[Synthesis]

2-Bromo-4-fluorobenzoic acid

1006-41-3

2-BroMo-4-fluoro-5-nitrobenzoic Acid

1036389-83-9

Fuming nitric acid (4 mL, 45.60 mmol) was slowly added dropwise to a mixed solution containing 2-bromo-4-fluorobenzoic acid (10 g, 45.66 mmol) and concentrated sulfuric acid (34 mL) under cooling conditions in an ice bath. Upon completion of the reaction, the reaction mixture was poured into ice water and stirred vigorously for 1 hour. The precipitate was collected by filtration, washed with ice water and dried to give 10.40 g of white solid product. It was further washed with water and evaporated to dryness to finally obtain 2-bromo-4-fluoro-5-nitrobenzoic acid in white solid form in 86% yield.

[References]

[1] Patent: CN106146474, 2016, A. Location in patent: Paragraph 0097 - 0098
[2] Patent: US2018/291002, 2018, A1. Location in patent: Paragraph 0444; 0445
[3] Patent: WO2017/176812, 2017, A1. Location in patent: Paragraph 0451
[4] Patent: WO2008/79836, 2008, A2. Location in patent: Page/Page column 86-87
Spectrum DetailBack Directory
[Spectrum Detail]

2-BroMo-4-fluoro-5-nitrobenzoic Acid(1036389-83-9)1HNMR
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