| Identification | More | [Name]
2,4,5-Trifluorobenzoic acid | [CAS]
446-17-3 | [Synonyms]
2,4,5-TRIFLUOROBENZOIC ACID
RARECHEM AL BO 0258
2,4-trifluorobenzoic acid and derivatives
2,4,5-Trilfuorobenzoic acid
2,4,5-TRIFLUOROBENZOIC ACID AND THE DERIVATIVES
2,4,5-TrifluoroBenzoicacidsolution
2,4,5-Trifluorobenzoic acid, 99.5+%
2,4,5-Trifluorobenzoic acid 20% solution
2,4,5-Trifluorobenzoic acid 99% | [EINECS(EC#)]
610-198-6 | [Molecular Formula]
C7H3F3O2 | [MDL Number]
MFCD00013306 | [Molecular Weight]
176.09 | [MOL File]
446-17-3.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
94-96 °C (lit.) | [Boiling point ]
241.9±35.0 °C(Predicted) | [density ]
1.4362 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), DMSO (Slightly) | [form ]
Solid | [pka]
2.87±0.10(Predicted) | [color ]
Off-White | [BRN ]
3257609 | [InChI]
InChI=1S/C7H3F3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12) | [InChIKey]
AKAMNXFLKYKFOJ-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC(F)=C(F)C=C1F | [CAS DataBase Reference]
446-17-3(CAS DataBase Reference) | [EPA Substance Registry System]
Benzoic acid, 2,4,5-trifluoro- (446-17-3) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29163900 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
2,4,5-Trifluorobenzoic Acid is a useful synthetic intermediate. It can be used to synthesize quinolone antibacterial agnts. | [Preparation]
Synthesis of 2,4,5-trifluorobenzoic acid: Tetrachloroisophthalonitrile was used as the starting material, which was fluoridated, selectively reduced, and partially defluoridated to obtain 2,4,5-trifluoroisophthalonitrile. This compound was hydrolyzed to form 2,4,5-trifluoroisophthalic acid. Then, selective decarboxylation of 2,4,5-trifluorobenzoic acid was carried out to prepare 2,4,5-trifluorobenzoic acid. | [Synthesis Reference(s)]
Journal of Medicinal Chemistry, 34, p. 168, 1991 DOI: 10.1021/jm00105a025 | [General Description]
2,4,5-Trifluorobenzoic acid is an important quinolone antibacterial intermediate. |
| Spectrum Detail | Back Directory | [Spectrum Detail]
2,4,5-Trifluorobenzoic acid(446-17-3)MS
2,4,5-Trifluorobenzoic acid(446-17-3)1HNMR
2,4,5-Trifluorobenzoic acid(446-17-3)13CNMR
2,4,5-Trifluorobenzoic acid(446-17-3)IR1
2,4,5-Trifluorobenzoic acid(446-17-3)IR2
2,4,5-Trifluorobenzoic acid(446-17-3)Raman
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