ChemicalBook--->CAS DataBase List--->446-17-3

446-17-3

446-17-3 Structure

446-17-3 Structure
IdentificationMore
[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 PropertiesBack 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
[InChIKey]

AKAMNXFLKYKFOJ-UHFFFAOYSA-N
[CAS DataBase Reference]

446-17-3(CAS DataBase Reference)
[EPA Substance Registry System]

Benzoic acid, 2,4,5-trifluoro- (446-17-3)
Safety DataBack 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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Isophthalic acid-->Chlorothalonil-->2,4-Difluoroaniline-->1,2,4-Trifluorobenzene
[Preparation Products]

2,5-Difluorophenol-->ABT-492-->Propanedioic acid, 2-(2,4,5-trifluorobenzoyl)-, 1,3-diethyl ester
Hazard InformationBack 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 DetailBack 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
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,4,5-Trifluorobenzoic acid, 99.5+%(446-17-3)
[Alfa Aesar]

2,4,5-Trifluorobenzoic acid, 98%(446-17-3)
[Sigma Aldrich]

446-17-3(sigmaaldrich)
[TCI AMERICA]

2,4,5-Trifluorobenzoic Acid,>97.0%(GC)(T)(446-17-3)
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