3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
- CAS NO.:53985-49-2
- Empirical Formula: C8H4ClF3O2
- Molecular Weight: 224.56
- MDL number: MFCD04115846
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-12-28 13:07:02
What is 3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID?
The Uses of 3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
2-Chloro-5-(trifluoromethyl)benzoic acid may be used as surrogate standard to investigate the exposure and home contamination in urine and hand wipe samples collected from farmers.
Synthesis
A solution of tBuONO (35.2 g) and CuCl (38.6 g) in CH3CN (375 mL) was warmed to 45-50° C. The compound (50.0 g) obtained in step 2 was added slowly while cooling the reaction mixture to maintain 45-50° C. After stirring at 50° C. for 30 min, the mixture was cooled to 10° C. 6N Hydrochloric acid (250 mL) was added and the mixture was stirred for 10 min. The resultant product was extracted twice with ethyl acetate. The organic layer was-washed with 10% aqueous citric acid solution and water and dried, and the solvent was evaporated under reduced pressure. The obtained residue was purified by silica gel column chromatography (solvent gradient; 10→25% ethyl acetate/hexane) to give 3-chloro-5-(trifluoromethyl)benzoic acid (33.1 g, 60%) as a white powder.
Properties of 3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
Melting point: | 98-101℃ |
Boiling point: | 263℃ |
Density | 1.523 |
Flash point: | 113℃ |
storage temp. | Sealed in dry,Room Temperature |
Water Solubility | Soluble in water. |
CAS DataBase Reference | 53985-49-2 |
Safety information for 3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
New Products
Tubulysin I (2S,4R)-4-amino-2-methyl-5-phenylpentanoic acid hydrochloride Tubulysin C Tubulysin E Potassium HMDS (1.0 M in THF) 4,4-DIFLUOROCYCLOHEXANAMINE 4,4-DIFLUOROPIPERIDINE 3-Aminocyclobutanone hydrochloride Methyl (R)-1-Boc-4,4-difluoropyrrolidine-2-carboxylate 2H-Pyran, 4-ethynyltetrahydro- Isoxazole, 3-[[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]thio]-4,5-dihydro-5,5-dimethyl- Imeglimin Hydrochloride IH 2-[2-[3(S)-3[2-(7-chloro-2-quinolinyl) ethenyl] phenyl-3- hydroxyl propyl] phenyl]-2-propanol (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine 2-(1-(Mercaptomethyl) cyclopropyl) acetonitrile Fuel shell 2-[[(3aR,4S,6R,6aS)-6-Aminotetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol ethanedioate Latanoprostene Bunod Magnesium Trisilicate Lubiprostone Flame Retardant Zinc Borate (R)-(3-(3-fluoro-4- thiomorpholinophenyl)-2- oxooxazolidin-4-yl) methyl methanesulfonate methyl 3-fluoro-4- thiomorpholino phenylcarbamate 1H-Imidazole-4-carbonitrileRelated products of tetrahydrofuran
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