ChemicalBook--->CAS DataBase List--->94022-99-8

94022-99-8

94022-99-8 Structure

94022-99-8 Structure
IdentificationBack Directory
[Name]

3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid
[CAS]

94022-99-8
[Synonyms]

SKL722
Cinacalcet-30
Cinacalcet Impurity 43
3-[2-(Trifluoromethyl)phenyl]p
2-(Trifluoromethyl)benzenepropanoic acid
3-[o-(α,α,α-trifluorotolyl)]propionic acid
3-[o-(α,α,α-trifluorotolyl)]propionic acid
3-[2-(Trifluoromethyl)phenyl]propanoic acid
Benzenepropanoic acid, 2-(trifluoromethyl)-
3-[2-(Trifluoromethyl)phenyl]propionic acid
3-[2-(Trifluoromethyl)phenyl]propionic acid, JRD, 97%
3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid
3-(2-(Trifluoromethyl)phenyl)propanoic acid (Cinacalcet Impurity)
2-(2-Carboxyethyl)benzotrifluoride, 3-[2-(Trifluoromethyl)phenyl]propionic acid
[EINECS(EC#)]

301-594-7
[Molecular Formula]

C10H9F3O2
[MDL Number]

MFCD06823965
[MOL File]

94022-99-8.mol
[Molecular Weight]

218.17
Chemical PropertiesBack Directory
[Melting point ]

84-88 °C
[Boiling point ]

266.9±35.0 °C(Predicted)
[density ]

1.307±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.53±0.10(Predicted)
[color ]

White
[InChI]

InChI=1S/C10H9F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-4H,5-6H2,(H,14,15)
[InChIKey]

YTDVNFDGHHHPEE-UHFFFAOYSA-N
[SMILES]

C1(CCC(O)=O)=CC=CC=C1C(F)(F)F
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38
[Safety Statements ]

26-36/37
[WGK Germany ]

3
[Hazard Note ]

Harmful
[TSCA ]

Yes
[HS Code ]

29163990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

3-?[2-?(Trifluoromethyl)?phenyl]?propionic Acid is a reactant used in the synthesis of small molecule inhibitors of anthrax toxin.
[Definition]

ChEBI: A monocarboxylic acid comprising propionic acid having a 2-(trifluoromethyl)phenyl group at the 3-position.
Spectrum DetailBack Directory
[Spectrum Detail]

3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid(94022-99-8)1HNMR
3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid(94022-99-8)FT-IR
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