4-Bromo-1H-indole-2,3-dione

Basic Information

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CAS Number

20780-72-7

Molecular Formula

C8H4BrNO2

Molecular Weight

226.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

271°C

Boiling Point

°Cat760mmHg

Density

1.826

Refractive Index

1.649

SMILES

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C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2

InChI

InChI=1S/C8H4BrNO2/c9-4-2-1-3-5-6(4)7(11)8(12)10-5/h1-3H,(H,10,11,12)

InChIKey

ITRAKBJPMLKWIW-UHFFFAOYSA-N

LogP

1.5838999999999996

Topological Polar Surface Area

46.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

241

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

A814882
4-Bromo-1H-indole-2,3-dione, AldrichCPR
4-Bromoisatin4-Bromoindole-2,3-dione
4-bromo-1H-indole-2,3-dione
STR08947
J-514819
AM20061101
EN300-24131
FT-0647000
MFCD03618555
4-bromo isatin
FS-2679
CHEBI:149871
BCP22780
4-bromo-2,3-dihydro-1H-indole-2,3-dione
SCHEMBL281203
Z169511486
CHEMBL226658
CS-W008631
DTXSID60403730
AKOS000266239
1H-Indole-2,3-dione, 4-bromo-
4-bromoindoline-2,3-dione
4-Bromo-Isatin
20780-72-7
B2423
AB15602
BCP9000157
4-BROMO-2,3-INDOLINEDIONE
AC-3166
ITRAKBJPMLKWIW-UHFFFAOYSA-N

MDL Number

MFCD03618555

Customs Code

2933990090

FAQ

What is 4-Bromo-1H-indole-2,3-dione (CAS: 20780-72-7)?

4-Bromo-1H-indole-2,3-dione, also known as 4-bromoindole-2,3-dione, is a heterocyclic organic compound with the CAS number 20780-72-7. It consists of a indole ring with a bromine atom attached to the 4-position and a ketone group at the 2,3-positions. This compound is characterized by its aromatic and brominated structure, which makes it a versatile intermediate in synthetic chemistry.

What are the main uses of 4-Bromo-1H-indole-2,3-dione (CAS: 20780-72-7)?

4-Bromo-1H-indole-2,3-dione is primarily used as an intermediate in the synthesis of various indole derivatives and pharmaceuticals. It is also employed in the development of heterocyclic compounds for potential use in medicinal chemistry and as a key building block in organic synthesis.

Is 4-Bromo-1H-indole-2,3-dione (CAS: 20780-72-7) safe?

4-Bromo-1H-indole-2,3-dione can be safe under proper handling conditions. However, it should be used with caution due to its chemical reactivity. Users should wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. It is important to avoid inhalation and contact with skin and eyes. Proper ventilation is also necessary to prevent exposure.

How should 4-Bromo-1H-indole-2,3-dione (CAS: 20780-72-7) be stored?

4-Bromo-1H-indole-2,3-dione should be stored in a tightly sealed container in a cool, dry place away from direct sunlight and heat sources. The storage temperature should be maintained below 30°C to prevent degradation. Containers should be kept in a well-ventilated area away from incompatible materials such as reducing agents, acids, and bases. Adequate fire protection measures should also be in place in case of accidental spillage or fire.