4-Fluoro-3-(trifluoromethyl)cinnamic acid
[CAS# 239463-90-2]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Aromatic cinnamic acid, esters and derivatives
• Name: 4-Fluoro-3-(trifluoromethyl)cinnamic acid
• Synonyms: (E)-3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enoic acid
• Molecular Formula: C₁₀H₆F₄O₂
• Molecular Weight: 234.15
• CAS Registry Number: 239463-90-2
• EC Number: 671-891-7
• SMILES: C1=CC(=C(C=C1/C=C/C(=O)O)C(F)(F)F)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, 294.0±35.0 ºC (760 mmHg), Calc.^*
• Flash Point: 131.6±25.9 ºC, Calc.^*

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

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H315-H319-H335
• Precautionary Statements: P261-P264-P264+P265-P271-P280-P302+P352-P304+P340-P305+P351+P338-P319-P321-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Eye irritation	Eye Irrit.	2	H319
Specific target organ toxicity - single exposure	STOT SE	3	H335
Skin irritation	Skin Irrit.	2	H315