ChemicalBook > CAS DataBase List > Methyl 4-Methyl-3-(trifluoroMethyl)benzoate

Methyl 4-Methyl-3-(trifluoroMethyl)benzoate

Product Name
Methyl 4-Methyl-3-(trifluoroMethyl)benzoate
CAS No.
116419-94-4
Chemical Name
Methyl 4-Methyl-3-(trifluoroMethyl)benzoate
Synonyms
131250;Methyl 4-methyl-3-trifluorobenzoate;Methyl 4-Methyl-3-(trifluoroMethyl)benzoate;4-methyl-3-(trifluoromethyl)benzoic acid methyl ester;Methyl 4-methyl-3-(trifluoromethyl)benzoate - [M54015];Benzoic acid, 4-methyl-3-(trifluoromethyl)-, methyl ester
CBNumber
CB62658991
Molecular Formula
C10H9F3O2
Formula Weight
218.17
MOL File
116419-94-4.mol
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Methyl 4-Methyl-3-(trifluoroMethyl)benzoate Property

Boiling point:
229.7±40.0 °C(Predicted)
Density 
1.231±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
Appearance
Colorless to light yellow Liquid
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Safety

HS Code 
2916399090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC
Product number
M354453
Product name
Methyl4-Methyl-3-(trifluoromethyl)benzoate
Packaging
250mg
Price
$310
Updated
2021/12/16
Matrix Scientific
Product number
133380
Product name
Methyl4-methyl-3-(trifluoromethyl)benzoate
Purity
97%
Packaging
1g
Price
$357
Updated
2021/12/16
Apolloscientific
Product number
PC48380
Product name
Methyl 4-methyl-3-(trifluoromethyl)benzoate
Packaging
250mg
Price
$77
Updated
2021/12/16
SynQuest Laboratories
Product number
2823-3-18
Product name
Methyl 4-methyl-3-(trifluoromethyl)benzoate
Purity
97%
Packaging
250mg
Price
$92
Updated
2021/12/16
Matrix Scientific
Product number
133380
Product name
Methyl4-methyl-3-(trifluoromethyl)benzoate
Purity
97%
Packaging
5g
Price
$1224
Updated
2021/12/16
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Methyl 4-Methyl-3-(trifluoroMethyl)benzoate Chemical Properties,Usage,Production

Synthesis

74-88-4

116419-94-4

General procedure for the synthesis of methyl 4-methyl-3-(trifluoromethyl)benzoate from iodomethane: Potassium hydroxide (KOH, 84 mg, 1.5 mmol) was dissolved in dimethylsulfoxide (DMSO, 5 mL) and allowed to stand for 30 min at 25 °C. Subsequently, a solution of 4-methyl-3-(trifluoromethyl)benzoic acid (306 mg, 1.5 mmol) in DMSO (5 mL) was added to the above slurry and the resulting mixture was stirred for 15 min. Next, iodomethane (426 mg, 3 mmol) was added and the reaction mixture was stirred at 25 °C for 2 hours. After completion of the reaction, the reaction was quenched with water. The reaction mixture was extracted with ethyl acetate (EtOAc) and the organic layer was washed with saturated sodium chloride (NaCl) solution and dried with anhydrous sodium sulfate (Na2SO4). The organic solvent was removed by concentration under reduced pressure to give methyl 4-methyl-3-(trifluoromethyl)benzoate as an oil (327 mg, 100% yield). Nuclear magnetic resonance hydrogen spectroscopy (1H NMR) data: δ 8.10 (m, 2H), 7.60 (s, 1H), 3.86 (s, 3H), 2.45 (s, 3H); mass spectrum (m/z): 218.

References

[1] Patent: WO2006/67446, 2006, A1. Location in patent: Page/Page column 130
[2] Patent: WO2006/79791, 2006, A1. Location in patent: Page/Page column 39
[3] Patent: WO2007/71963, 2007, A2. Location in patent: Page/Page column 56

Methyl 4-Methyl-3-(trifluoroMethyl)benzoate Preparation Products And Raw materials

Raw materials

Preparation Products

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