2-Propenoic acid, 3-[2-(trifluoromethyl)phenyl]-

Base Information

• Chemical Name: 2-Propenoic acid, 3-[2-(trifluoromethyl)phenyl]-
• CAS No.: 2062-25-1
• Molecular Formula: C10H7F3O2
• Molecular Weight: 216.16
• DSSTox Substance ID: DTXSID90870931
• Mol file: 2062-25-1.mol

Synonyms:2-Trifluoromethylcinnamic acid;3-(2-(trifluoromethyl)phenyl)acrylic acid;3-[2-(trifluoromethyl)phenyl]acrylic acid;DTXSID90870931;ortho-(trifluoromethyl)cinnamic acid;AKOS025243199;3-(2-trifluoromethyl-phenyl)-acrylic acid;FT-0608966;FT-0608967;FT-0616926;T2608;3-[2-(Trifluoromethyl)phenyl]-2-propenoic acid

Chemical Property of 2-Propenoic acid, 3-[2-(trifluoromethyl)phenyl]-

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 0.00225mmHg at 25°C
• Melting Point: 205-207 °C(lit.)
• Refractive Index: 1.526
• Boiling Point: 276.9 °C at 760 mmHg
• PKA: 4.22±0.10(Predicted)
• Flash Point: 121.3 °C
• PSA: 37.30000
• Density: 1.363 g/cm³
• LogP: 2.80320
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 216.03981395
• Heavy Atom Count: 15
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

2-(Trifluoromethyl)cinnamic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=CC(=O)O)C(F)(F)F