CAS No.26771-69-7,2-Methoxy-1-(4'-trifluoromethyl)phenylethanone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26771-69-7
Name:	2-Methoxy-1-(4'-trifluoromethyl)phenylethanone
Article Data:	7

Formula:	C₁₀H₉F₃O₂
Molecular Weight:	218.175
Synonyms:	Acetophenone,2-methoxy-4'-(trifluoromethyl)- (8CI);2-Methoxy-4'-trifluoromethylacetophenone;
Density:	1.23 g/cm³
Melting Point:	50-52 °C
Boiling Point:	259.282 °C at 760 mmHg
Flash Point:	107.352 °C
Appearance:	White to light yellow crystal powder
Risk Codes:	21/22
Safety:	24/25
PSA:	26.30000
LogP:	2.53450

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Specification

The systematic name of this chemical is 2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone. With the CAS registry number 26771-69-7, it is also named as ethanone, 2-methoxy-1-[4-(trifluoromethyl)phenyl]-. It is white to light yellow crystal powder which is harmful by inhalation and in contact with skin, so people should avoid contact with eyes.

The other characteristics of 2-Methoxy-1-(4'-trifluoromethyl)phenylethanone can be summarized as: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.45; (8)Molar Refractivity: 47.639 cm³; (9)Molar Volume: 177.343 cm³; (10)Polarizability: 18.885×10^-24cm³; (11)Surface Tension: 28.322 dyne/cm; (12)Density: 1.23 g/cm³; (13)Flash Point: 107.352 °C; (14)Enthalpy of Vaporization: 49.692 kJ/mol; (15)Boiling Point: 259.282 °C at 760 mmHg; (16)Vapour Pressure: 0.013 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES: FC(F)(F)c1ccc(C(=O)COC)cc1
2. InChI: InChI=1/C10H9F3O2/c1-15-6-9(14)7-2-4-8(5-3-7)10(11,12)13/h2-5H,6H2,1H3
3. InChIKey: WDXVCXWXZAMAKA-UHFFFAOYAH