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1H-Indole-2,3-dione, 3-oxime

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Name

1H-Indole-2,3-dione, 3-oxime

EINECS 210-132-2
CAS No. 607-28-3 Density 1.49 g/cm3
PSA 61.69000 LogP 0.95500
Solubility N/A Melting Point 228°C (dec.)
Formula C8H6N2O2 Boiling Point 400.5 °C at 760 mmHg
Molecular Weight 162.148 Flash Point 196 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 607-28-3 (ISATIN-3-OXIME) Hazard Symbols N/A
Synonyms

Indole-2,3-dione,3-oxime (7CI,8CI);Isatin, 3-oxime (6CI);Isatin b-oxime;NSC 9355;

Article Data 42

1H-Indole-2,3-dione, 3-oxime Specification

This chemical is called 1H-Indole-2,3-dione, 3-oxime, and its systematic name is 3-(hydroxyamino)-2H-indol-2-one. With the molecular formula of C8H6N2O2, its product categories are Indoles; Simple Indoles. The CAS registry number of this chemical is 607-28-3. In addition, this chemical should be sealed in the cool and dry place.

Other characteristics of the 1H-Indole-2,3-dione, 3-oxime can be summarised as followings: (1)ACD/LogP: -0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.31; (4)ACD/LogD (pH 7.4): -0.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.22; (8)ACD/KOC (pH 7.4): 14.96; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.9 Å2; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 42.12 cm3; (15)Molar Volume: 108.2 cm3; (16)Polarizability: 16.69×10-24cm3; (17)Surface Tension: 62.6 dyne/cm; (18)Density: 1.49 g/cm3; (19)Flash Point: 196 °C; (20)Enthalpy of Vaporization: 75.29 kJ/mol; (21)Boiling Point: 400.5 °C at 760 mmHg; (22)Vapour Pressure: 4.43E-08 mmHg at 25°C.

Uses of this chemical: The 1H-Indole-2,3-dione, 3-oxime could react with acetic acid anhydride, and obtain the N-(2-oxo-indolin-3-yl)-acetamide. This reaction needs the reagent of In, AcOH. and the solvent of tetrahydrofuran. The yield is 69 %. In addition, this reaction should be taken for 18 hours. The other condition is heating.

When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C/2/N=C1/C=C\C=C/C1=C\2NO
2.InChI: InChI=1/C8H6N2O2/c11-8-7(10-12)5-3-1-2-4-6(5)9-8/h1-4,12H,(H,9,10,11)
3.InChIKey: LNMAXZZQNSPQSR-UHFFFAOYAP

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg) BEHAVIORAL: COMA Journal of Pharmacology and Experimental Therapeutics. Vol. 119, Pg. 522, 1957.
Link to PubMed
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 22, 1953.

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