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| CAS No.: | 56341-40-3 |
|---|---|
| Name: | 7-TRIFLUOROMETHYLOXINDOLE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C9H6F3NO |
| Molecular Weight: | 201.148 |
| Synonyms: | 2-Oxo-7-(trifluoromethyl)indoline;7-(Trifluoromethyl)indolin-2-one;7-(Trifluoromethyl)oxindole; |
| EINECS: | 1312995-182-4 |
| Density: | 1.391g/cm3 |
| Boiling Point: | 284 °C at 760 mmHg |
| Flash Point: | 125.5 °C |
| Risk Codes: | 43 |
| Safety: | 36/37 |
| PSA: | 29.10000 |
| LogP: | 2.33800 |
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- Total:29 Page 1 of 1 1
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Specification
The 7-Trifluoromethyloxindole with cas registry number of 56341-40-3, belongs to the following product categories: (1)blocks; (2)FluoroCompounds; (3)IndolesOxindoles; (4)Indoline & Oxindole. It has the systematic name of 7-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one.
Physical properties about this chemical are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 3.58; (6)ACD/BCF (pH 7.4): 3.58; (7)ACD/KOC (pH 5.5): 86.73; (8)ACD/KOC (pH 7.4): 86.73; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31Å2; (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)Enthalpy of Vaporization: 52.29 kJ/mol; (19)Vapour Pressure: 0.00306 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc2c1NC(=O)C2;
(2)InChI: InChI=1/C9H6F3NO/c10-9(11,12)6-3-1-2-5-4-7(14)13-8(5)6/h1-3H,4H2,(H,13,14);
(3)InChIKey: ODADMQRQVQRBAC-UHFFFAOYAZ;
(4)Std. InChI: InChI=1S/C9H6F3NO/c10-9(11,12)6-3-1-2-5-4-7(14)13-8(5)6/h1-3H,4H2,(H,13,14);
(5)Std. InChIKey: ODADMQRQVQRBAC-UHFFFAOYSA-N