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| CAS No.: | 345-32-4 |
|---|---|
| Name: | 5-(TRIFLUOROMETHYL)ISATIN |
| Molecular Structure: | |
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| Formula: | C9H4F3NO2 |
| Molecular Weight: | 215.131 |
| Synonyms: | 5-(Trifluoromethyl)indoline-2,3-dione;5-Trifluoromethyl-1H-indole-2,3-dione;4-Fluoro-2-hydroxybenzoic acid;5-(Trifluoromethyl)-1H-benzo[d]azolidine-2,3-dione;ZINC16159526; |
| Density: | 1.525 g/cm3 |
| Melting Point: | 246 °C(Solv: acetic acid (64-19-7)) |
| Hazard Symbols: |
 Xi
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| PSA: | 46.17000 |
| LogP: | 1.97820 |
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Specification
The 5-(Trifluoromethyl)isatin with CAS registry number of 345-32-4 is also known as 1H-Indole-2,3-dione,5-(trifluoromethyl)-. The IUPAC name is 5-Trifluoromethyl-1H-indole-2,3-dione. It belongs to product categories of Indoles and derivatives; Pyrroles & Indoles. In addition, the formula is C9H4F3NO2 and the molecular weight is 215.13. What's more, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 5-(Trifluoromethyl)isatin are: (1)ACD/LogP: 2.01; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 4; (5)ACD/BCF (pH 7.4): 4; (6)ACD/KOC (pH 5.5): 98; (7)ACD/KOC (pH 7.4): 97; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.513; (11)Molar Refractivity: 42.404 cm3; (12)Molar Volume: 141.063 cm3; (13)Surface Tension: 39.229 dyne/cm; (14)Density: 1.525 g/cm3.
You can still convert the following datas into molecular structure:
1. SMILES: FC(F)(F)c1cc2c(cc1)NC(=O)C2=O
2. InChI: InChI=1/C9H4F3NO2/c10-9(11,12)4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15)
3. InChIKey: WODYULWWVAMDCP-UHFFFAOYAK
4. Std. InChI: InChI=1S/C9H4F3NO2/c10-9(11,12)4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15)
5. Std. InChIKey: WODYULWWVAMDCP-UHFFFAOYSA-N