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ChemicalBook--->CAS DataBase List--->1321613-02-8

1321613-02-8

1321613-02-8 Structure

1321613-02-8 Structure
IdentificationBack Directory
[Name]

Methyl 4-bromo-2-chloro-6-fluorobenzoate
[CAS]

1321613-02-8
[Synonyms]

Methyl 4-bromo-2-chloro-6-fluorobenzoate
4-bromo-2-chloro-6-fluorobenzoic acid methyl ester
Benzoic acid, 4-bromo-2-chloro-6-fluoro-, methyl ester
[Molecular Formula]

C8H5BrClFO2
[MDL Number]

MFCD22574196
[MOL File]

1321613-02-8.mol
[Molecular Weight]

267.48
Chemical PropertiesBack Directory
[Boiling point ]

299.4±40.0 °C(Predicted)
[density ]

1.675±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[Appearance]

Colorless to light yellow Liquid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[HS Code ]

2916399090
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 4-bromo-2-chloro-6-fluorobenzoate(1321613-02-8)1HNMR
Methyl 4-bromo-2-chloro-6-fluorobenzoate(1321613-02-8)1HNMR
Methyl 4-bromo-2-chloro-6-fluorobenzoate(1321613-02-8)19FNMR
Hazard InformationBack Directory
[Synthesis]

4-BROMO-2-FLUORO-6-CHLOROBENZOIC ACID

1321613-01-7

Iodomethane

74-88-4

Methyl 4-bromo-2-chloro-6-fluorobenzoate

1321613-02-8

Procedure for the synthesis of methyl 4-bromo-2-chloro-6-fluorobenzoate: to a mixture of compound 4-bromo-2-chloro-6-fluorobenzoic acid (20 g, 80 mmol) and potassium carbonate (13.2 g, 96 mmol) in N,N-dimethylformamide (200 mL) was added methylene iodide (23 g, 160 mmol). The reaction mixture was stirred at room temperature for 2 hours and subsequently poured into water (600 mL) and extracted with dichloromethane (2 x 200 mL). The organic layers were combined, washed sequentially with water and brine, dried over anhydrous sodium sulfate and concentrated under reduced pressure to give a brown oil. Purification by silica gel column chromatography (petroleum ether: ethyl acetate = 100:1) gave the target product methyl 4-bromo-2-chloro-6-fluorobenzoate (8 g, 49% yield, two-step reaction) as a light yellow oil.

[References]

[1] Patent: US2012/28952, 2012, A1. Location in patent: Page/Page column 17
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