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261952-01-6

Basic Information
CAS No.: 261952-01-6
Name: 4-Methyl-3-(trifluoromethyl)benzoic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 261952-01-6 (4-Methyl-3-(trifluoromethyl)benzoic acid)
Formula: C9H7 F3 O2
Molecular Weight: 204.149
Synonyms: 4-Methyl-3-(trifluoromethyl)benzoicacid
Density: 1.24g/cm3
Melting Point: 176-177 ºC
Boiling Point: 233oC at 760 mmHg
Flash Point: 94.7oC
Hazard Symbols:
Risk Codes: 36/37/38
Safety: 26-37/39-24/25-37
PSA: 37.30000
LogP: 2.71200
Synthetic route

4-methyl-3-(trifluoromethyl)benzonitrile

261952-01-6

4-methyl-3-(trifluoromethyl)benzoic acid

Conditions
ConditionsYield
Stage #1: 4-methyl-3-(trifluoromethyl)benzonitrile With water; sodium hydroxide In ethanol for 6h; Reflux;
Stage #2: With hydrogenchloride In ethanol; water
104-85-8

para-methylbenzonitrile

261952-01-6

4-methyl-3-(trifluoromethyl)benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: silver carbonate; sodium carbonate; dipotassium peroxodisulfate / dichloromethane / 10 h / 120 °C / Schlenk technique; Sealed tube
2: sodium hydroxide; water / ethanol / 6 h / Reflux
View Scheme
261952-01-6

4-methyl-3-(trifluoromethyl)benzoic acid

1303518-35-5

4-dibromomethyl-3-trifluoromethyl-benzoic acid

Conditions
ConditionsYield
With N-Bromosuccinimide In tetrachloromethane for 1h; Reflux; UV-irradiation;100%
With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane; water for 24h; Reflux;100%
261952-01-6

4-methyl-3-(trifluoromethyl)benzoic acid

3-bromo-4-methyl-5-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With N-Bromosuccinimide; sulfuric acid at 20℃; for 16h;100%
With N-Bromosuccinimide; sulfuric acid at 20℃; for 16h;98%
261952-01-6

4-methyl-3-(trifluoromethyl)benzoic acid

67-56-1

methanol

116419-94-4

4-methyl-3-(trifluoromethyl)benzoic acid methyl ester

Conditions
ConditionsYield
With sulfuric acid Reflux;96%
sulfuric acid for 6h; Reflux;95%
With sulfuric acid Reflux;95%
261952-01-6

4-methyl-3-(trifluoromethyl)benzoic acid

1070886-95-1

C9H6F3NO4

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 100℃; for 1.5h;96%
261952-01-6

4-methyl-3-(trifluoromethyl)benzoic acid

54060-30-9

3-acetylenephenylamine

N-(3-ethynylphenyl)-4-methyl-3-(trifluoromethyl)benzamide

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃; for 18h; Schlenk technique; Inert atmosphere;95.2%
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 18h; Inert atmosphere;95.2%
261952-01-6

4-methyl-3-(trifluoromethyl)benzoic acid

74-88-4

methyl iodide

116419-94-4

4-methyl-3-(trifluoromethyl)benzoic acid methyl ester

Conditions
ConditionsYield
With potassium carbonate In acetone at 20℃; for 24h;95%
Stage #1: 4-methyl-3-(trifluoromethyl)benzoic acid With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.0833333h;
Stage #2: methyl iodide In N,N-dimethyl-formamide at 20℃; for 18h;
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 18h;
261952-01-6

4-methyl-3-(trifluoromethyl)benzoic acid

6638-79-5

N,O-dimethylhydroxylamine*hydrochloride

1173793-77-5

N-methoxy-N,4-dimethyl-3-(trifluoromethyl)benzamide

Conditions
ConditionsYield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃;86%
With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 6h;
261952-01-6

4-methyl-3-(trifluoromethyl)benzoic acid

(4-methyl-3-(trifluoromethyl)phenyl)methanol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 25℃; for 12h;77.2%
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Chemistry

Molecular Structure:

Molecular Formula: C9H7F3O2
Molecular Weight: 204.1459
IUPAC Name: 4-Methyl-3-(trifluoromethyl)benzoic acid
Synonyms of 4-Methyl-3-(Trifluoromethyl)benzoic Acid (CAS NO.261952-01-6): Rarechem al bo 0960  ;  Mtf-boa-4me ; 3-Trifluoromethyl-p-toluic acid ; 4-Methyl-3-(Trifluoromethyl)benzoic Acid 3-(Trifluoromethyl)-4-Methylbenzoic Acid ; 4-Methyl-3-(trifluoromethyl)benzoic acid, 97+% ; 3-Trifluoromethyl-4-methyl benzoic acid,98%
CAS NO: 261952-01-6
Classification Code: Benzoic acid
Melting point: 182-186°C 
Index of Refraction: 1.478
Molar Refractivity: 42.98 cm3
Molar Volume: 151.7 cm3
Surface Tension: 33.1 dyne/cm
Density: 1.345 g/cm3
Flash Point: 116.2 °C
Enthalpy of Vaporization: 53.52 kJ/mol
Boiling Point: 268.6 °C at 760 mmHg
Vapour Pressure of 4-Methyl-3-(Trifluoromethyl)benzoic Acid (CAS NO.261952-01-6): 0.00378 mmHg at 25°C

Safety Profile

Hazard Codes of 4-Methyl-3-(Trifluoromethyl)benzoic Acid (CAS NO.261952-01-6): IrritantXi,VeryT+
Risk Statements: 36/37/38-26/27/28 
R36/37/38: Irritating to eyes, respiratory system and skin. 
R26/27/28: Very toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-37/39-24/25 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39: Wear suitable gloves and eye/face protection. 
S24/25: Avoid contact with skin and eyes.
Hazard Note: Irritant