3-(Trifluoromethyl)cinnamic acid, predominantly trans , 98% , 779-89-5

CAS NO.：779-89-5

Empirical Formula: C10H7F3O2

Molecular Weight: 216.16

MDL number: MFCD00004393

EINECS: 212-301-6

PRODUCT Properties

• Melting point: 135-137 °C(lit.)
• Boiling point: 224°C (rough estimate)
• Density: 1.3275 (estimate)
• storage temp.: Sealed in dry,Room Temperature
• solubility: DMSO (Slightly), Methanol (Slightly)
• form: Solid
• pka: 4.25±0.10(Predicted)
• color: White to Off-White
• BRN: 1963372
• InChI: InChI=1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)
• InChIKey: KSBWHDDGWSYETA-UHFFFAOYSA-N
• SMILES: C(O)(=O)C=CC1=CC=CC(C(F)(F)F)=C1
• CAS DataBase Reference: 779-89-5(CAS DataBase Reference)
• EPA Substance Registry System: 3-[3-(Trifluoromethyl)phenyl]acrylic acid (779-89-5)

Description and Uses

3-(Trifluoromethyl)cinnamic acid is used in the synthesis of cinacalcet. Cinacalcet is a drug for the control and treatment of secondary hyperparathyroidism (in the dialysis population), primary hyperparathyroidism where the patient may not be a candidate for surgical treatment, and for the treatment of calciphylaxis in patients with end-stage renal disease or in patients on dialysis.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P302+P352-P305+P351+P338
• Hazard Codes: Xi
• Risk Statements: 36/37/38-37/38
• Safety Statements: 26-37/39-37
• WGK Germany: 3
• TSCA: Yes
• HazardClass: IRRITANT
• HS Code: 29163990