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: 2025-07-16 09:52:10
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
4-Iodo-3,5-dimethylbenzonitrile 2-fluoro-4-iodoaniline 2-(3-Methyl-1,2,4-oxadiazol-5-yl)acetic acid (as potassium salt) 6,6'-methylenebis(9-methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)-2,3-dihydro-1H-carbazol-4(9H)-one) 3-Bromo-2-fluorobenzoic acid Quinuclidine-4-carbonitrile N,N CARBONYL DIIMIDAZOLE 2-Amino-5-bromo-4-(trifluoromethyl)pyridine（RM for Indian lab) (RS)-beta-Amino-beta-(4-bromophenyl)propionic acid Tetrabutylammonium perchlorate N,O-Dimethylhydroxylamine hydrochloride (R)-1-Benzyl-3-pyrrolidinecarbonitrile Bupropian related compound F Lantanoprost rc B Clidinium Bromide Impurity Noradrenaline EP Impurity D/Noradrenaline Methyl Ether Cetirizine EP Impurity A/Cetirizine CBHP Impurity N-Nitroso hydroxy Cetrizine EP Impurity-A 4-(5-amino-1-methyl-1h-benzoimidazol-2-yl)-butyric acid isopropyl ester. 1,4-bis(methylsulfonyl)butane 4-Cyano-N-Methacryloyl-3-Trifluoromethyl Aniline 5-Methyl-1,3-benzenediacetonitrile 4-Fluorothiophenol 1-methyl amino-2,4-dinitro benzeneRelated products of tetrahydrofuran
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