Methyl 3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate supplier

Name
METHYL 2-TRIFLUOROMETHYLBENZOYLACETATE
EINECS
CAS No. 212755-77-6
Density 1.289 g/cm³
Solubility
Melting Point 98-10°C
Formula C₁₁H₉F₃O₃
Boiling Point 271.6 °C at 760 mmHg
Molecular Weight 246.186
Flash Point 114.5 °C
Transport Information
Appearance White to light yellow crystal powder
Safety 24/25-25-24
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzenepropanoic acid, β-oxo-2-(trifluoromethyl)-, methyl ester;
PSA 43.37000
LogP 2.45120

Methyl 3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate Specification

This product is an organic compound with the formula C₁₁H₉F₃O₃. The IUPAC name of this chemical is Methyl 3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate. With the CAS registry number 212755-77-6, it is also named as Benzenepropanoic acid, β-oxo-2-(trifluoromethyl)-, methyl ester. In addition, the molecular weight is 246.18. Besides, it belongs to the product category of Benzoic Acid. When you are using this chemical, you should keep it in mind that this chemical is irritating to eyes, respiratory system and skin. What's more, it may cause inflammation to the skin or other mucous membranes.

Physical properties about Methyl 3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 43.37 Å²; (7)Index of Refraction: 1.459; (8)Molar Refractivity: 52.3 cm³; (9)Molar Volume: 190.9 cm³; (10)Polarizability: 20.73×10^-24 cm³; (11)Surface Tension: 31.9 dyne/cm; (12)Density: 1.289 g/cm³; (13)Flash Point: 114.5 °C; (14)Enthalpy of Vaporization: 50.99 kJ/mol; (15)Boiling Point: 271.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00638 mmHg at 25 °C.

You can still convert the following data into molecular structure:
(1) SMILES: FC(F)(F)c1ccccc1C(=O)CC(=O)OC
(2) InChI: InChI=1/C11H9F3O3/c1-17-10(16)6-9(15)7-4-2-3-5-8(7)11(12,13)14/h2-5H,6H2,1H3
(3) InChIKey: CPAGQMQGVDEFOB-UHFFFAOYAO

Product Name

METHYL 2-TRIFLUOROMETHYLBENZOYLACETATE

Methyl 3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate Specification

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