2-Fluoro-5-(trifluoromethyl)cinnamic acid
[CAS# 247113-91-3]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Aromatic cinnamic acid, esters and derivatives
• Name: 2-Fluoro-5-(trifluoromethyl)cinnamic acid
• Synonyms: (E)-3-[2-fluoro-5-(trifluoromethyl)phenyl]prop-2-enoic acid
• Molecular Formula: C₁₀H₆F₄O₂
• Molecular Weight: 234.15
• CAS Registry Number: 247113-91-3
• EC Number: 681-874-6
• SMILES: C1=CC(=C(C=C1C(F)(F)F)/C=C/C(=O)O)F

Properties

• Solubility: 124.2 mg/L (25 ºC water)
• Density: 1.4±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.510, Calc.^*
• Melting point: 76.37 ºC
• Boiling Point: 288.52 ºC, 281.6±35.0 ºC (760 mmHg), Calc.^*
• Flash Point: 124.1±25.9 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H317-H319
• Precautionary Statements: P280-P305+351+338