| Identification | Back Directory | [Name]
3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID | [CAS]
53985-49-2 | [Synonyms]
3-Chloro-5-carboxybenzotrifluoride
3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
Benzoic acid, 3-chloro-5-(trifluoromethyl)-
3-Carboxy-5-chlorobenzotrifluoride, 5-Chloro-alpha,alpha,alpha-trifluoro-m-toluic acid | [Molecular Formula]
C8H4ClF3O2 | [MDL Number]
MFCD04115846 | [MOL File]
53985-49-2.mol | [Molecular Weight]
224.56 |
| Chemical Properties | Back Directory | [Melting point ]
98-101℃ | [Boiling point ]
263℃ | [density ]
1.523 | [Fp ]
113℃ | [storage temp. ]
Sealed in dry,Room Temperature | [Water Solubility ]
Soluble in water. | [InChI]
InChI=1S/C8H4ClF3O2/c9-6-2-4(7(13)14)1-5(3-6)8(10,11)12/h1-3H,(H,13,14) | [InChIKey]
IDLOGBMWOUINGG-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC(C(F)(F)F)=CC(Cl)=C1 | [CAS DataBase Reference]
53985-49-2 |
| Hazard Information | Back Directory | [Uses]
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. |
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| Company Name: |
J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
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Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
| Company Name: |
SynAsst Chemical.
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021-60343070 |
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www.chemicalbook.com/ShowSupplierProductsList15848/0_EN.htm |
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