4-(Trifluoromethyl)-1H-indole-2,3-dione supplier

Name
4-(TRIFLUOROMETHYL)-1H-INDOLE-2,3-DIONE
EINECS
CAS No. 386-73-2
Article Data8
CAS DataBase
Density 1.525 g/cm³
Solubility
Melting Point 224-257℃ (decomposition)
Formula C₉H₄F₃NO₂
Boiling Point
Molecular Weight 215.13
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indole-2,3-dione,4-(trifluoromethyl)- (8CI);Isatin, 4-(trifluoromethyl)- (6CI);4-(Trifluoromethyl)-2,3-indoledione;4-(Trifluoromethyl)isatin;ZINC26894306;
PSA 46.17000
LogP 1.97820

4-(Trifluoromethyl)-1H-indole-2,3-dione Specification

The 1H-Indole-2,3-dione,4-(trifluoromethyl)- with CAS registry number of 386-73-2 is also known as 4-(Trifluoromethyl)isatin. The IUPAC name is 4-(Trifluoromethyl)-1H-indole-2,3-dione. In addition, the formula is C₉H₄F₃NO₂ and the molecular weight is 215.13.

Physical properties about 1H-Indole-2,3-dione,4-(trifluoromethyl)- are: (1)ACD/LogP: 2.07; (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): 95; (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)c1cccc2NC(=O)C(=O)c12
2. InChI: InChI=1/C9H4F3NO2/c10-9(11,12)4-2-1-3-5-6(4)7(14)8(15)13-5/h1-3H,(H,13,14,15)
3. InChIKey: RHIANQJNIOBETN-UHFFFAOYAR
4. Std. InChI: InChI=1S/C9H4F3NO2/c10-9(11,12)4-2-1-3-5-6(4)7(14)8(15)13-5/h1-3H,(H,13,14,15)
5. Std. InChIKey: RHIANQJNIOBETN-UHFFFAOYSA-N

Product Name

4-(TRIFLUOROMETHYL)-1H-INDOLE-2,3-DIONE

4-(Trifluoromethyl)-1H-indole-2,3-dione Specification

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