3,3,3-Trifluoro-2,2-dimethylpropanoic acid

Base Information

• Chemical Name: 3,3,3-Trifluoro-2,2-dimethylpropanoic acid
• CAS No.: 889940-13-0
• Molecular Formula: C5H7F3O2
• Molecular Weight: 156.105
• Hs Code.: 29159000
• European Community (EC) Number: 632-961-2
• DSSTox Substance ID: DTXSID00600802
• Wikidata: Q72511076
• Mol file: 889940-13-0.mol

Synonyms:3,3,3-trifluoro-2,2-dimethylpropanoic acid;889940-13-0;3,3,3-Trifluoro-2,2-dimethylpropionic acid;MFCD08445819;3,3,3-Trifluoro-2,2-dimethyl-propionic acid;SCHEMBL247988;2-trifluoromethyl-isobutyric acid;AMY3002;DTXSID00600802;BCP05886;BBL102149;STL555948;AKOS005063382;CS-W008045;DS-9198;SB40443;SY023457;3,3,3-trifluoro-2,2-dimethylpropanoicacid;3,3,3-trifluoro-2,2-dimethylpropionic a&;DB-001240;T3450;3,3,3-trifluoro-2,2-dimethyl propanoic acid;EN300-126441;A852881;3,3,3-Trifluoro-2,2-dimethylpropionic acid, 97%;J-511046

Chemical Property of 3,3,3-Trifluoro-2,2-dimethylpropanoic acid

Chemical Property:

• Vapor Pressure: 1.8mmHg at 25°C
• Melting Point: 66-71 °C
• Refractive Index: 1.363
• Boiling Point: 153.4 °C at 760 mmHg
• PKA: 3.10±0.10(Predicted)
• Flash Point: 46.6 °C
• PSA: 37.30000
• Density: 1.278 g/cm³
• LogP: 1.65950
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 156.03981395
• Heavy Atom Count: 10
• Complexity: 148

Purity/Quality:

98%, ^*data from raw suppliers

3,3,3-Trifluoro-2,2-dimethylpropanoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C(=O)O)C(F)(F)F
• 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.

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