Ethyl 2-methyl-4,4,4-trifluorocrotonate

Base Information

• Chemical Name: Ethyl 2-methyl-4,4,4-trifluorocrotonate
• CAS No.: 128227-97-4
• Molecular Formula: C7H9F3O2
• Molecular Weight: 182.14
• Hs Code.: 2916190090
• European Community (EC) Number: 670-545-2
• Nikkaji Number: J1.050.727H
• Wikidata: Q76310527
• Mol file: 128227-97-4.mol

Synonyms:Ethyl 2-methyl-4,4,4-trifluorocrotonate;128227-97-4;ethyl 4,4,4-trifluoro-2-methylbut-2-enoate;ethyl (E)-4,4,4-trifluoro-2-methylbut-2-enoate;MFCD00190637;ethyl (2E)-4,4,4-trifluoro-2-methylbut-2-enoate;SCHEMBL3230569;SCHEMBL8828773;BBL104045;STL557859;AKOS006228570;MS-20773;ethyl4,4,4-trifluoro-2-methylbut-2-enoate;ethyl (E)-2-methyl-4,4,4-trifluorobut-2-enoate;2-Butenoic acid,4,4,4-trifluoro-2-methyl-,ethyl ester;(E)-2-Methyl-4,4,4-trifluoro-2-butenoic acid ethyl ester

Chemical Property of Ethyl 2-methyl-4,4,4-trifluorocrotonate

Chemical Property:

• Vapor Pressure: 1.46mmHg at 25°C
• Refractive Index: 1.3755
• Boiling Point: 170.6 °C at 760 mmHg
• Flash Point: 45.7 °C
• PSA: 26.30000
• Density: 1.157 g/cm³
• LogP: 2.05810
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 182.05546401
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl2-Methyl-4,4,4-trifluorocrotonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F;Xi
• Hazard Codes: F,Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=CC(F)(F)F)C
• Isomeric SMILES: CCOC(=O)/C(=C/C(F)(F)F)/C