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EINECS 672-900-7
CAS No. 1735-89-3 Density 1.391 g/cm3
PSA 29.10000 LogP 2.33800
Solubility N/A Melting Point 184-186 ºC
Formula C9H6F3NO Boiling Point 289.8 ºC at 760 mmHg
Molecular Weight 201.148 Flash Point 129.1 ºC
Transport Information N/A Appearance N/A
Safety 36/37-24/25 Risk Codes  Xi:;
Molecular Structure Molecular Structure of 1735-89-3 (6-TRIFLUOROMETHYLOXINDOLE) Hazard Symbols IrritantXi

2-Indolinone,6-(trifluoromethyl)- (7CI,8CI);2-Oxo-6-(trifluoromethyl)indoline;6-(Trifluoromethyl)-2-oxindole;6-(Trifluoromethyl)-1,3-dihydro-2H-indol-2-one;

Article Data 12

6-Trifluoromethvl-2-oxindole Specification

The IUPAC name of 2H-Indol-2-one,1,3-dihydro-6-(trifluoromethyl)- is 6-(trifluoromethyl)-1,3-dihydroindol-2-one. With the CAS registry number 1735-89-3, it is also named as 6-Trifluoromethvl-2-oxindole. The product's categories are Blocks; Fluoro Compounds; Indoles Oxindoles; Indole / Indoline / Oxindole; Indoline & Oxindole; Indoles; Boronic Acid; Heterocyclic Compounds. Besides, it should be stored in cold place. In addition, its molecular formula is C9H6F3NO and molecular weight is 201.14.

The other characteristics of 2H-Indol-2-one,1,3-dihydro-6-(trifluoromethyl)- can be summarized as: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 31.14; (6)ACD/BCF (pH 7.4): 31.14; (7)ACD/KOC (pH 5.5): 407.88; (8)ACD/KOC (pH 7.4): 407.88; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 42.27 cm3; (15)Molar Volume: 144.5 cm3; (16)Polarizability: 16.75×10-24cm3; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 1.391 g/cm3; (19)Flash Point: 129.1 °C; (20)Melting Point: 184-186 °C; (21)Enthalpy of Vaporization: 52.91 kJ/mol; (22)Boiling Point: 289.8 °C at 760 mmHg; (23)Vapour Pressure: 0.00215 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)c1ccc2c(c1)NC(=O)C2
(2)InChI: InChI=1/C9H6F3NO/c10-9(11,12)6-2-1-5-3-8(14)13-7(5)4-6/h1-2,4H,3H2,(H,13,14)
(4)Std. InChI: InChI=1S/C9H6F3NO/c10-9(11,12)6-2-1-5-3-8(14)13-7(5)4-6/h1-2,4H,3H2,(H,13,14)

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