ChemicalBook--->CAS DataBase List--->243666-12-8

243666-12-8

243666-12-8 Structure

243666-12-8 Structure
IdentificationMore
[Name]

2,3,4-TRIFLUOROPHENYLACETIC ACID
[CAS]

243666-12-8
[Synonyms]

2,3,4-TRIFLUOROBENZENE ACETIC ACID
2,3,4-TRIFLUOROPHENYLACETIC ACID
RARECHEM AL BO 0514
[Molecular Formula]

C8H5F3O2
[MDL Number]

MFCD00061235
[Molecular Weight]

190.12
[MOL File]

243666-12-8.mol
Chemical PropertiesBack Directory
[Melting point ]

102-105℃
[Boiling point ]

257.9±35.0 °C(Predicted)
[density ]

1.468±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[pka]

3.78±0.10(Predicted)
[Appearance]

White to off-white Solid
[InChI]

1S/C8H5F3O2/c9-5-2-1-4(3-6(12)13)7(10)8(5)11/h1-2H,3H2,(H,12,13)
[InChIKey]

OSQPRQRJSJMQRJ-UHFFFAOYSA-N
[SMILES]

FC1=C(F)C(F)=CC=C1CC(O)=O
[CAS DataBase Reference]

243666-12-8(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[WGK Germany ]

WGK 3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2916399090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

2,3,4-Trifluorophenylacetic acid is an organic compound that is often used as a pharmaceutical intermediate, especially as a key intermediate in the synthesis of sitagliptin, a new drug for the treatment of type 2 diabetes.
Spectrum DetailBack Directory
[Spectrum Detail]

2,3,4-TRIFLUOROPHENYLACETIC ACID(243666-12-8)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,3,4-Trifluorophenylacetic acid, 97%(243666-12-8)
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