5,6-Difluoro-1H-isoindole-1,3(2H)-dione supplier

Name
5,6-DIFLUOROISATIN
EINECS 1312995-182-4
CAS No. 83684-73-5
Article Data2
CAS DataBase
Density 1.578 g/cm³
Solubility
Melting Point
Formula C₈H₃F₂NO₂
Boiling Point
Molecular Weight 183.114
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5,6-difluoro-1H-indole-2,3-dione;1H-Indole-2,3-dione, 5,6-difluoro-;5,6-difluoro-1H-benzo[d]azoline-2,3-dione;5,6-Difluoroisatin;
PSA 46.17000
LogP 1.23760

5,6-Difluoro-1H-isoindole-1,3(2H)-dione Specification

The 1H-Isoindole-1,3(2H)-dione,5,6-difluoro-, with the CAS registry number 83684-73-5, has the systematic name and IUPAC name of 5,6-difluoro-1H-indole-2,3-dione. It belongs to the following product categories: Indole/indoline/oxindole; Boronic Acid; Heterocyclic Compounds. And the molecular formula of the chemical is C₈H₃F₂NO₂.

The characteristics of 1H-Isoindole-1,3(2H)-dione,5,6-difluoro- are as followings: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 3.38; (6)ACD/BCF (pH 7.4): 1.57; (7)ACD/KOC (pH 5.5): 82.89; (8)ACD/KOC (pH 7.4): 38.45; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 37.41 cm³; (15)Molar Volume: 115.9 cm³; (16)Polarizability: 14.83×10^-24cm³; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.578 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc2c(cc1F)NC(=O)C2=O
(2)InChI: InChI=1/C8H3F2NO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13)
(3)InChIKey: FQIJOGDQWRLSQW-UHFFFAOYAE

Product Name

5,6-DIFLUOROISATIN

5,6-Difluoro-1H-isoindole-1,3(2H)-dione Specification

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