ChemicalBook--->CAS DataBase List--->889940-13-0

889940-13-0

889940-13-0 Structure

889940-13-0 Structure
IdentificationBack Directory
[Name]

3,3,3-TRIFLUORO-2,2-DIMETHYLPROPIONIC A&
[CAS]

889940-13-0
[Synonyms]

3,3,3-TRIFLUORO-2,2-DIMETHYLPROPIONIC
3,3-Trifluoro-2,2-diMethylpropionic acid
3,3,3-TRIFLUORO-2,2-DIMETHYLPROPIONIC A&
3,3,3-Trifluoro-2,2-dimethylpropionic acid
3,3,3-trifluoro-2,2-dimethylpropanoic acid
2-(trifluoromethyl)-2-methylpropanoic acid
Propanoic acid, 3,3,3-trifluoro-2,2-diMethyl-
3,3,3-Trifluoro-2,2-dimethylpropionic acid 97%
[Molecular Formula]

C5H7F3O2
[MDL Number]

MFCD08445819
[MOL File]

889940-13-0.mol
[Molecular Weight]

156.102
Chemical PropertiesBack Directory
[Melting point ]

66-71 °C
[Boiling point ]

76-77°C/14mm
[density ]

1.278±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

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

Solid
[pka]

3.10±0.10(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C5H7F3O2/c1-4(2,3(9)10)5(6,7)8/h1-2H3,(H,9,10)
[InChIKey]

VMFSJVUPIXOCFO-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C(C)(C)C(F)(F)F
[CAS DataBase Reference]

889940-13-0
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[RIDADR ]

3261
[WGK Germany ]

3
[HazardClass ]

8
[HazardClass ]

IRRITANT
[PackingGroup ]

III
[HS Code ]

29159000
Hazard InformationBack Directory
[Uses]

3,3,3-Trifluoro-2,2-dimethylpropanoic Acid, is an organic buliding blocks, that can be used in the synthesis of variety of pharmaceutical compounds, such as inhibitors.
[Synthesis]

Prepare a dry, clean 1L four-necked flask. 18g of 3,3,3-trifluoro-2,2-dimethylpropanenitrile was added to it, and 500 ml of a 5 mol/L sodium hydroxide aqueous solution was placed in the flask; stir well; the mixture was heated to a temperature of 90-100 ° C and refluxed overnight. The reaction was terminated until 3,3,3-trifluoro-2,2-dimethylpropanenitrile was completely reacted. Concentrated hydrochloric acid was used to adjust the pH to 1. Continue stirring for 30 minutes, Extracted with 50*3ml of dichloromethane; the organic layers were combined and concentrated to give a white solid (3,3,3-Trifluoro-2,2-dimethylpropionic acid). The yield was 84.3% (GC 98%).
3,3,3-Trifluoro-2,2-dimethylpropionic acid
Spectrum DetailBack Directory
[Spectrum Detail]

3,3,3-TRIFLUORO-2,2-DIMETHYLPROPIONIC A&(889940-13-0)1HNMR
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