5-(Trifluoromethoxy)-1H-indole-2,3-dione supplier

Name
5-(TRIFLUOROMETHOXY)ISATIN
EINECS 1592732-453-0
CAS No. 169037-23-4
Article Data8
CAS DataBase
Density 1.562 g/cm³
Solubility Insoluble in water.
Melting Point 170-172 °C(lit.)
Formula C₉H₄F₃NO₃
Boiling Point
Molecular Weight 231.131
Flash Point
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 5-(Trifluoromethoxy)indoline-2,3-dione;5-Trifluoromethoxy-1H-indole-2,3-dione;5-Trifluoromethoxyisatin;
PSA 55.40000
LogP 1.85800

5-(Trifluoromethoxy)-1H-indole-2,3-dione Specification

This chemical is called 5-(Trifluoromethoxy)-1H-indole-2,3-dione, and it can also be named as 3-(Trifluoromethoxy)cinnamic acid. With the molecular formula C₉H₄F₃NO₃, its molecular weight is 231.13. The CAS registry number of this chemical is 169037-23-4, and its product categories are blocks; IndolesOxindoles; Indane/Indanone and Derivatives; Fused Ring Systems; Building Blocks; Heterocyclic Building Blocks; Indoles. This chemical is irritant, and it should be kept cold.

Other characteristics of the 5-(Trifluoromethoxy)-1H-indole-2,3-dione can be summarised as followings: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.716; (4)ACD/LogD (pH 7.4): 2.683; (5)ACD/BCF (pH 5.5): 68.256; (6)ACD/BCF (pH 7.4): 63.188; (7)ACD/KOC (pH 5.5): 715.099; (8)ACD/KOC (pH 7.4): 661.998; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.4 Å²; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 44.56 cm³; (15)Molar Volume: 147.946 cm³; (16)Polarizability: 17.665×10^-24cm³; (17)Surface Tension: 40.567 dyne/cm; (18)Density: 1.562 g/cm^3.You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1OC(F)(F)F)C(=O)C(=O)N2
(2)InChI: InChI=1/C9H4F3NO3/c10-9(11,12)16-4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15)
(3)InChIKey: XHAJMVPMNOBILF-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H4F3NO3/c10-9(11,12)16-4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15)
(5)Std. InChIKey: XHAJMVPMNOBILF-UHFFFAOYSA-N

Product Name

5-(TRIFLUOROMETHOXY)ISATIN

5-(Trifluoromethoxy)-1H-indole-2,3-dione Specification

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