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

Basic Information

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CAS Number

87-48-9

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

247-252 °C

Boiling Point

136

Density

1.7498 (rough estimate)

Flash Point

Solubility

Soluble in N,N dimethylformamide.

Refractive Index

1.6120 (estimate)

SMILES

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C1=CC2=C(C=C1Br)C(=O)C(=O)N2

InChI

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

InChIKey

MBVCESWADCIXJN-UHFFFAOYSA-N

LogP

1.5839

Topological Polar Surface Area

46.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

241

Safety Information

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GHS Hazard Pictograms

H315

H318

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

FS-2520
INDOLE-2,3-DIONE, 5-BROMO-
A842244
B1566
CHEMBL115897
5-Bromo-2,3-indolinedione
BRN 0383760
FT-0620163
BB 0258954
DTXSID30236037
5-bromo-2,3-dihydro-1H-indole-2,3-dione
NSC-4980
CS-W007383
CHEBI:149786
5-bromo-isatin
5-bromoindoline-2,3-dione;5-Bromoisatin
SR-01000402436-1
C8H4BrNO2
5-Bromoisatin
STR04158
STK364356
AKOS000200674
AKOS002375882
5-Bromoindole-2,3-dione
Isatin, 5-bromo-
MFCD00005719
Bromoisatin
1H-Indole-2, 5-bromo-
EN300-18123
AM808100
STL140691

MDL Number

MFCD00005719

Customs Code

2933990090

FAQ

What is 5-Bromo-1H-indole-2,3-dione (CAS: 87-48-9)?

5-Bromo-1H-indole-2,3-dione is a brominated indole derivative with the chemical formula C8H6BrNO2. It is a yellow solid that exhibits moderate solubility in organic solvents. This compound is known for its heterocyclic structure and is used in various chemical applications due to its reactivity and functional groups.

What are the main uses of 5-Bromo-1H-indole-2,3-dione (CAS: 87-48-9)?

5-Bromo-1H-indole-2,3-dione is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic synthesis, agrochemicals, and materials science. Its unique chemical properties make it valuable in the synthesis of biologically active compounds and functional materials.

Is 5-Bromo-1H-indole-2,3-dione (CAS: 87-48-9) safe?

5-Bromo-1H-indole-2,3-dione should be handled with caution due to potential toxicity. It is advisable to use appropriate protective equipment such as gloves and goggles. Safety standards recommend following OSHA guidelines and ensuring proper ventilation when working with this compound in laboratory settings.

How should 5-Bromo-1H-indole-2,3-dione (CAS: 87-48-9) be stored?

5-Bromo-1H-indole-2,3-dione should be stored in a cool, dry, and dark place, preferably at 2-8°C. It is important to keep it in a sealed container away from moisture and light to maintain stability. Avoid exposure to air and store in a well-ventilated area to prevent degradation.