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METHYL 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZOATE

Product Name
METHYL 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZOATE
CAS No.
115933-50-1
Chemical Name
METHYL 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZOATE
Synonyms
Methyl 4-hydroxy-3-(trifluoromethyl);Methyl 3-(trifluoroMethyl)-4-hydroxybenzoate;Benzoic acid, 4-hydroxy-3-(trifluoromethyl)-, methyl ester;4-hydroxy-3-(trifluoromethyl)-Benzoic acid methyl ester (9CI ACI);Benzoic acid, 4-hydroxy-3-(trifluoromethyl)-, methyl ester (9CI, ACI)
CBNumber
CB5501113
Molecular Formula
C9H7F3O3
Formula Weight
220.15
MOL File
115933-50-1.mol
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METHYL 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZOATE Property

Melting point:
167-169 °C
Boiling point:
266.1±40.0 °C(Predicted)
Density 
1.382±0.06 g/cm3(Predicted)
storage temp. 
2-8°C
pka
6.37±0.43(Predicted)
Appearance
White to light brown Solid
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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

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

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

P310Immediately call a POISON CENTER or doctor/physician.

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N-Bromosuccinimide Price

TRC
Product number
M323388
Product name
Methyl4-hydroxy-3-(trifluoromethyl)benzoate
Packaging
500mg
Price
$90
Updated
2021/12/16
Matrix Scientific
Product number
076535
Product name
Methyl 4-hydroxy-3-(trifluoromethyl)benzoate
Purity
95+%
Packaging
1g
Price
$43
Updated
2021/12/16
Apolloscientific
Product number
PC2901
Product name
Methyl4-hydroxy-3-(trifluoromethyl)benzoate
Purity
98+%
Packaging
5g
Price
$138
Updated
2021/12/16
Matrix Scientific
Product number
076535
Product name
Methyl 4-hydroxy-3-(trifluoromethyl)benzoate
Purity
95+%
Packaging
5g
Price
$151
Updated
2021/12/16
SynQuest Laboratories
Product number
2829-3-X4
Product name
Methyl 4-hydroxy-3-(trifluoromethyl)benzoate
Purity
98.0%
Packaging
5G
Price
$152
Updated
2021/12/16
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METHYL 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZOATE Chemical Properties,Usage,Production

Synthesis

67-56-1

220239-68-9

115933-50-1

Step 1: Synthesis of methyl 4-hydroxy-3-(trifluoromethyl)benzoate 4-Hydroxy-3-(trifluoromethyl)benzoic acid (4.9 g, 23.7 mmol) was dissolved in a solvent mixture of methanol (15 mL) and DMF (18 μL, 0.24 mmol). Thionyl chloride (5.2 mL, 71.0 mmol) was slowly added dropwise under stirring, and the dropwise addition time was controlled within 10 min. After the dropwise addition, the reaction mixture was continued to be stirred at room temperature for 18 hours. Upon completion of the reaction, the volatiles were removed by distillation under reduced pressure. The residue was dissolved in ethyl acetate (50 mL) and washed with saturated aqueous sodium bicarbonate (50 mL). The aqueous phase was then extracted with ethyl acetate (2 x 50 mL). All organic phases were combined, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give methyl 4-hydroxy-3-(trifluoromethyl)benzoate (4.9 g, 93% yield) as an off-white solid. Product characterization data: 1H NMR (400 MHz, DMSO) δ 11.68 (s, 1H), 8.00-8.10 (m, 2H), 7.20-7.07 (m, 1H), 3.83 (s, 3H). ESI-MS m/z calculated: 220.0, measured: 221.0 (M + 1). Retention time: 1.41 min (3 min gradient).

References

[1] Organic Process Research and Development, 2015, vol. 19, # 6, p. 618 - 623
[2] Patent: WO2015/6280, 2015, A1. Location in patent: Paragraph 00344; 00345
[3] Patent: WO2011/93684, 2011, A2. Location in patent: Page/Page column 40
[4] Patent: WO2014/206344, 2014, A1. Location in patent: Page/Page column 104; 131
[5] Patent: US2007/191603, 2007, A1. Location in patent: Page/Page column 34

METHYL 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZOATE Preparation Products And Raw materials

Raw materials

Preparation Products

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METHYL 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZOATE Suppliers

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View Lastest Price from METHYL 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZOATE manufacturers

Career Henan Chemical Co
Product
METHYL 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZOATE 115933-50-1
Price
US $6.60/KG
Min. Order
1KG
Purity
97%-99%
Supply Ability
1kg -1000kg
Release date
2020-01-02

115933-50-1, METHYL 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZOATERelated Search:

4-HYDROXY-2-(TRIFLUOROMETHYL)BENZONITRILE RARECHEM AL BF 1193 RARECHEM AL BI 1191 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZALDEHYDE 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZOIC ACID METHYL 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZOATE RARECHEM AL BI 1193

  • Methyl 4-hydroxy-3-(trifluoromethyl)
  • Methyl 3-(trifluoroMethyl)-4-hydroxybenzoate
  • Benzoic acid, 4-hydroxy-3-(trifluoromethyl)-, methyl ester
  • Benzoic acid, 4-hydroxy-3-(trifluoromethyl)-, methyl ester (9CI, ACI)
  • 4-hydroxy-3-(trifluoromethyl)-Benzoic acid methyl ester (9CI ACI)
  • 115933-50-1