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| CAS No.: | 162252-92-8 |
|---|---|
| Name: | 6-(TRIFLUOROMETHOXY)-1H-INDOLE-2,3-DIONE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C9H4F3NO3 |
| Molecular Weight: | 231.131 |
| Synonyms: | 6-TRIFLUOROMETHOXYISATIN;6-(TRIFLUOROMETHOXY)-1H-INDOLE-2,3-DIONE;6-(trifluoromethoxy)indoline-2,3-dione;6-(trifluoroMethoxy)-2,3-dihydro-1H-indole-2,3-dione |
| Density: | 1.562 g/cm3 |
| PSA: | 55.40000 |
| LogP: | 1.85800 |
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Specification
The 1H-Indole-2,3-dione,6-(trifluoromethoxy)- is an organic compound with the formula C9H4F3NO3. The systematic name of this chemical is 6-(Trifluoromethoxy)-1H-indole-2,3-dione. The CAS registry number of this chemical is 162252-92-8. Besides, its molecular weight is 231.13.
Physical properties about 1H-Indole-2,3-dione,6-(trifluoromethoxy)- are: (1)ACD/LogP: 2.42; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 15; (5)ACD/BCF (pH 7.4): 14; (6)ACD/KOC (pH 5.5): 243; (7)ACD/KOC (pH 7.4): 231; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 55.4 Å2; (12)Index of Refraction: 1.514; (13)Molar Refractivity: 44.56 cm3; (14)Molar Volume: 147.946 cm3; (15)Polarizability: 17.665×10-24 cm3; (16)Surface Tension: 40.567 dyne/cm; (17)Density: 1.562 g/cm3.
Preparation: this chemical can be prepared by 2-Hydroxyimino-N-(3-trifluoromethoxy-phenyl)-acetamide. This reaction will need reagent H2SO4. The reaction time is 45 min with reaction temperature of 90 °C. The yield is about 60%.
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You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H4F3NO3/c10-9(11,12)16-4-1-2-5-6(3-4)13-8(15)7(5)14/h1-3H,(H,13,14,15)
(2)InChIKey: NHPRQRZWXLBANJ-UHFFFAOYAA
(3)Std. InChI: InChI=1S/C9H4F3NO3/c10-9(11,12)16-4-1-2-5-6(3-4)13-8(15)7(5)14/h1-3H,(H,13,14,15)
(4)Std. InChIKey: NHPRQRZWXLBANJ-UHFFFAOYSA-N