Molecular Structure of Methyl trifluoropyruvate (CAS NO.13089-11-7):

IUPAC Name: Methyl 3,3,3-trifluoro-2-oxopropanoate
Molecular Formula: C₄H₃F₃O₃
Molecular Weight: 156.06003 g/mol
XLogP3-AA: 1.1
H-Bond Donor: 0
H-Bond Acceptor: 6
Canonical SMILES: COC(=O)C(=O)C(F)(F)F
InChI: InChI=1S/C4H3F3O3/c1-10-3(9)2(8)4(5,6)7/h1H3
InChIKey: XGLLQDIWQRQROJ-UHFFFAOYSA-N
Index of Refraction: 1.331
Molar Refractivity: 22.84 cm³
Molar Volume: 111.5 cm³
Surface Tension: 23.1 dyne/cm
Density: 1.398 g/cm³
Enthalpy of Vaporization: 30.12 kJ/mol
Boiling Point: 58.5 °C at 760 mmHg
Vapour Pressure: 208 mmHg at 25 °C
Water Solubility: mg/L at 25 °C
Refractive Index: n20/D 1.332(lit.)
BRN: 1863490

Safety Information of Methyl trifluoropyruvate (CAS NO.13089-11-7):
Hazard Codes: C ,F ,Xi
Hazard Note: Flammable
Risk Statements: 10
10: Flammable
Safety Statements: 45-36/37/39-26-16
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
16: Keep away from sources of ignition - No smoking
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
HazardClass: 3
PackingGroup: III

 Methyl trifluoropyruvate (CAS NO.13089-11-7) is also called for Methyl 3,3,3-trifluoro-2-oxopropanoate ; Propanoic acid, 3,3,3-trifluoro-2-oxo-, methyl ester ; Ethyltrifluoropyruvate ; Methyl 3,3,3-trifluoropyruvate ; Methyl trifluoropyruvate 97% ; Methyltrifluoropyruvate ; Trifluoropyruvic acid methyl ester with appearance of clear colorless to light yellow liquid.