- 261952-02-72-METHYL-3-(TRIFLUOROMETHYL)BENZONITRILE
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Cas Database |
| Name |
4-Methyl-3-(Trifluoromethyl)benzoic Acid |
EINECS | N/A |
| CAS No. | 261952-01-6 | Density | 1.24g/cm3 |
| PSA | 37.30000 | LogP | 2.71200 |
| Solubility | N/A | Melting Point |
176-177 ºC |
| Formula | C9H7 F3 O2 | Boiling Point | 233oC at 760 mmHg |
| Molecular Weight | 204.149 | Flash Point | 94.7oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-37/39-24/25-37 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
|
| Synonyms |
4-Methyl-3-(trifluoromethyl)benzoicacid |
Article Data | 2 |
4-Methyl-3-(Trifluoromethyl)benzoic Acid Synthetic route
- 261952-01-6
4-methyl-3-(trifluoromethyl)benzoic acid
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 25℃; for 12h; | 77.2% |
4-Methyl-3-(Trifluoromethyl)benzoic Acid Chemical Properties
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
4-Methyl-3-(Trifluoromethyl)benzoic Acid Safety Profile
Hazard Codes of 4-Methyl-3-(Trifluoromethyl)benzoic Acid (CAS NO.261952-01-6): 
Xi,
T+
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
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