isatin

CAS No. 91-56-5

Formula: C8H5NO2
Basic Info

Isatin or 1H-indole-2,3-dione is an indole derivative. The compound was first obtained by Erdmann and Laurent in 1841 as a product from the oxidation of indigo dye by nitric acid and chromic acids. The compound is found in many plants, such as Isatis tinctoria, Calanthe discolor and in Couroupita guianensis.
Schiff bases of isatin are investigated for their pharmaceutical properties.
Isatin forms a blue dye (indophenin) if it is mixed with sulfuric acid and crude benzene. The formation of the indophenin was long believed to be a reaction with benzene. Victor Meyer was able to isolate the substance responsible for this reaction from crude benzene. This new heterocyclic compound was thiophene.

Formula
C8H5NO2
Molecular Weight
147.131
Exact Mass
147.032
LogP
0.9594
PSA
46.17
Synonyms

1H-Indole-2,3-dione

2-methopropan-1-ol

indole-2,3-dione

2,3-KETOINDOLINE

ISATIC ANHYDRIDE

indoline-2,3-dione

Isotin

2,3-dihydro-1H-indol-2,3-dione

Indoquinone

2,3-INDOLEDIONE

Isatin

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Properties
Appearance & Physical State
yellow to reddish crystalline solid
Density
1.367 g/cm3
Boiling Point
360.3ºC at 760 mmHg
Melting Point
193-195ºC
Flash Point
220ºC
Refractive Index
1.661
Stability
Stable. Incompatible with strong acids.
Storage Condition
Store at RT.
Safety Info
RTECS
NL7873000
Safety Statements
S24/25
WGK Germany
1
Risk Statements
R36/37/38
HS Code
2933990090
RIDADR
2811
Hazard Class
6.1(b)
Packing Group
III
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : in DMSO-d6
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IR Spectrum IR : KBr disk
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Mass Spectrum Mass spectrum (electron ionization)
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UV Spectrum UV/Visible spectrum
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Toxicity
ACUTE TOXICITY DATA
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Type of Test
LDLo - Lowest published lethal dose
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
5 gm/kg
Toxic Effects
Peripheral Nerve and Sensation--flaccid paralysis without anesthesia (usually neuromuscular blockage)<br>Behavioral--changes in motor activity (specific assay)
Reference
Indian Journal of Physiology and Pharmacology. (All India Institute of Medical Sciences, Dept. of Physiology, Ansari Nagar, New Delhi 110 029, India) V.1- 1957- Volume(issue)/page/year: 6,145,1962
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Intraperitoneal
Species Observed
Rodent - rat
Dose/Duration
7740 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 27(8),54,1983
ACUTE TOXICITY DATA
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Type of Test
LD - Lethal dose
Exposure Route
Intravenous
Species Observed
Rodent - rat
Dose/Duration
>800 mg/kg
Toxic Effects
Peripheral Nerve and Sensation--flaccid paralysis without anesthesia (usually neuromuscular blockage)<br>Behavioral--changes in motor activity (specific assay)
Reference
Indian Journal of Physiology and Pharmacology. (All India Institute of Medical Sciences, Dept. of Physiology, Ansari Nagar, New Delhi 110 029, India) V.1- 1957- Volume(issue)/page/year: 6,145,1962

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