ChemicalBook--->CAS DataBase List--->957207-58-8

957207-58-8

957207-58-8 Structure

957207-58-8 Structure
IdentificationBack Directory
[Name]

Methyl 4-bromo-2-(trifluoromethyl)benzoate
[CAS]

957207-58-8
[Synonyms]

Methyl 4-bromo-2-(trifluoromethyl)benzoate
4-Bromo-2-(trifluoromethyl)benzoic acid methyl ester
Benzoic acid, 4-bromo-2-(trifluoromethyl)-, methyl ester
[EINECS(EC#)]

827-667-8
[Molecular Formula]

C9H6BrF3O2
[MDL Number]

MFCD12761599
[MOL File]

957207-58-8.mol
[Molecular Weight]

283.04
Chemical PropertiesBack Directory
[Boiling point ]

274.2±40.0 °C(Predicted)
[density ]

1.598±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H319-H315-H335
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[HS Code ]

2916399090
Questions And AnswerBack Directory
[Application]

Methyl 4-bromo-2-trifluoromethylbenzoate can be used as an organic intermediate and a pharmaceutical intermediate, mainly in laboratory research and development processes and chemical and pharmaceutical analysis processes.
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 4-bromo-2-(trifluoromethyl)benzoate(957207-58-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methanol

67-56-1

4-Bromo-2-(Trifluoromethyl) Benzoic Acid

320-31-0

Methyl 4-bromo-2-(trifluoromethyl)benzoate

957207-58-8

Synthesis of methyl 4-bromo-2-(trifluoromethyl)benzoate (107): 4-bromo-2-(trifluoromethyl)benzoic acid (106; 1.6 g, 5.95 mmol) was dissolved in 20 mL of methanol. 2 mL of thionyl chloride was added slowly. After addition, the reaction mixture was stirred at 60 °C for 12 h and subsequently concentrated. To the residue was added 20 mL of ethyl acetate. The mixture was washed sequentially with saturated aqueous sodium bicarbonate and saturated brine, dried over anhydrous sodium sulfate and concentrated to give 1.6 g methyl 4-bromo-2-(trifluoromethyl)benzoate (107) as a yellow liquid. Yield 85%. LCMS: m/z 282.7 [M + H]+, tR = 1.79 min.

[References]

[1] Patent: US2012/28952, 2012, A1. Location in patent: Page/Page column 18-19
[2] Patent: WO2017/31213, 2017, A1. Location in patent: Paragraph 00419
[3] Patent: WO2013/175053, 2013, A1. Location in patent: Page/Page column 120-121
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