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Cas Database |
| Name |
4-(Trifluoromethyl)benzoic acid |
EINECS | 207-242-8 |
| CAS No. | 455-24-3 | Density | 1.403 g/cm3 |
| PSA | 37.30000 | LogP | 2.40360 |
| Solubility | Soluble in water. | Melting Point |
219-220 °C(lit.) |
| Formula | C8H5F3O2 | Boiling Point | 243.2 °C at 760 mmHg |
| Molecular Weight | 190.122 | Flash Point | 100.9 °C |
| Transport Information | N/A | Appearance | white to light yellow crystal powder |
| Safety | 26-36/37-24/25 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
alpha,alpha,alpha-Trifluoro-p-toluic acid;4-Carboxybenzotrifluoride;NSC 88327; |
Article Data | 219 |
4-(Trifluoromethyl)benzoic acid Synthetic route
| Conditions | Yield |
|---|---|
| With C4H11FeMo6NO24(3-)*3C16H36N(1+); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 8h; Green chemistry; | 99% |
| With 4H3N*4H(1+)*CuMo6O18(OH)6(4-); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 12h; | 99% |
| With oxygen; copper(II) acetate monohydrate; cobalt(II) diacetate tetrahydrate In water at 70℃; under 760.051 Torr; for 1h; | 99% |
- 175605-64-8
1-(4-(trifluoromethyl)phenyl)ethane-1,2-diol
- 455-24-3
4-trifluoromethylbenzoic acid
| Conditions | Yield |
|---|---|
| With oxygen; sodium methylate; silver trifluoromethanesulfonate In tetrahydrofuran; methanol at 37℃; under 760.051 Torr; Sealed tube; | 99% |
| Conditions | Yield |
|---|---|
| With manganese(II) bromide; silver carbonate; potassium hydroxide In 1,3,5-trimethyl-benzene at 50 - 165℃; for 2h; Schlenk technique; Inert atmosphere; | 98% |
| With methyl 3,5-bis((1H-1,2,4-triazol-1-yl)methyl)benzoate; oxygen; sodium acetate; nickel dibromide at 120℃; under 760.051 Torr; for 72h; | 97% |
| With 3,5-Lutidine; 4-acetylamino-2,2,6,6-tetramethylpiperidine-N-oxyl; sodium persulfate; tris(2,2'‐bipyridine)ruthenium(II) hexafluorophosphate In water; acetonitrile at 20℃; for 48h; Sealed tube; Irradiation; | 95% |
| Conditions | Yield |
|---|---|
| With formic acid; 1,10-ethyliden-3-octyl-7-trifluoromethylalloxazinium chloride; oxygen In acetonitrile at 40℃; for 24h; Irradiation; | 98% |
| With cerium(III) chloride; 1,1,1-trichloroethanol; oxygen In acetonitrile at 60℃; Irradiation; | 90% |
| With oxygen; Langlois reagent In acetonitrile at 25℃; for 12h; Irradiation; Green chemistry; | 87% |
| With pyridine; dipotassium peroxodisulfate; oxygen In acetonitrile at 80℃; under 760.051 Torr; for 16h; Green chemistry; | 72% |
| Conditions | Yield |
|---|---|
| With iodine; aluminium In acetonitrile at 80℃; for 18h; | 98% |
| With lithium hydroxide monohydrate; water In ethanol at 25℃; for 12h; | 94.8% |
| With methanol; water; sodium hydroxide at 20℃; for 2h; | 68.4% |
- 124-38-9
carbon dioxide
- 501374-30-7
5,5-dimethyl-2-(4-trifluoromethyl-phenyl)-[1,3,2]dioxaborinane
- 455-24-3
4-trifluoromethylbenzoic acid
| Conditions | Yield |
|---|---|
| Stage #1: carbon dioxide; 5,5-dimethyl-2-(4-trifluoromethyl-phenyl)-[1,3,2]dioxaborinane With [Ni(N,N'-bis[2,6-bis(diphenylmethyl)-4-methylphenyl]imidazole-2-ylidene)(allyl)Cl]; potassium tert-butylate In toluene at 100℃; under 760.051 Torr; for 15h; Schlenk technique; Inert atmosphere; Stage #2: With hydrogenchloride In water; ethyl acetate; toluene at 20℃; | 97% |
| With potassium tert-butylate; copper(l) chloride; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride In tetrahydrofuran at 70℃; under 760.051 Torr; for 24h; | 92% |
| With (1,3-bis(2,6-diisopropyl-4-(morpholinomethyl)phenyl)imidazolidin-2-ylidene)copper(I) bromide; potassium tert-butylate In tetrahydrofuran under 760.051 Torr; for 24h; Inert atmosphere; Schlenk technique; Reflux; Green chemistry; | 90% |
| With 1,3-bis-(diphenylphosphino)propane; cesium fluoride; [Rh(OH)(cod)]2 In 1,4-dioxane at 60℃; | 76% |
| Stage #1: carbon dioxide; 5,5-dimethyl-2-(4-trifluoromethyl-phenyl)-[1,3,2]dioxaborinane With potassium tert-butylate; silver(I) acetate; triphenylphosphine In 1,4-dioxane at 100℃; under 15201 Torr; for 8h; Inert atmosphere; Autoclave; Stage #2: With hydrogenchloride In tetrahydrofuran; water Inert atmosphere; | 74% |
- 1448887-34-0
methyl 3-oxo-3-(4-(trifluoromethyl)phenyl) propanedithioate
- 455-24-3
4-trifluoromethylbenzoic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 100℃; for 9h; Reflux; chemoselective reaction; | 97% |
| Conditions | Yield |
|---|---|
| With amphiphilic resin-supported phosphine-palladium; water; potassium carbonate at 25℃; under 760 Torr; for 12h; hydroxycarbonylation; | 96% |
| With water; potassium carbonate In acetonitrile; tert-butyl alcohol at 100℃; under 3750.38 Torr; for 0.0161111h; | 96% |
| With water; palladium diacetate; potassium carbonate at 20℃; under 760.051 Torr; for 7h; | 82% |
| With water; palladium diacetate; triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In 1,4-dioxane at 100℃; under 11251.1 Torr; Flow reactor; | 78% |
| With water; sodium carbonate; palladium diacetate at 20 - 165℃; under 10501.1 - 22502.3 Torr; for 0.333333h; microwave irradiation; | 59% |
| Conditions | Yield |
|---|---|
| With sodium nitrate; water; oxygen In dimethyl sulfoxide at 130℃; for 24h; | 96% |
| Conditions | Yield |
|---|---|
| With water at 20℃; Temperature; Reflux; | 95.4% |
4-(Trifluoromethyl)benzoic acid Chemical Properties
Synonyms: Benzoic acid, 4-(trifluoromethyl)-
The Molecular formula of 4-Trifluoromethyl benzoic acid (CAS NO.455-24-3): C8H5F3O2
The Molecular Weight of 4-Trifluoromethyl benzoic acid (CAS NO.455-24-3): 190.12
Molecular Structure : 
EINECS: 207-242-8
Melting point: 219-220 °C(lit.)
Boiling point: 243.2 °C at 760 mmHg
Flash Point: 100.9 °C
Density: 1.403 g/cm3
4-(Trifluoromethyl)benzoic acid Safety Profile
The Hazard Codes of 4-Trifluoromethyl benzoic acid (CAS NO.455-24-3): 
Xi
The Risk Statements information of 4-Trifluoromethyl benzoic acid (CAS NO.455-24-3):
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information of 4-Trifluoromethyl benzoic acid (CAS NO.455-24-3):
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
24/25: Avoid contact with skin and eyes
36/37: Wear suitable protective clothing and gloves
WGK Germany: 3
Hazard Note: Irritant
TSCA: T
HS Code: 29163900
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