5,6-Difluoro-1H-indole-2,3-dione

Basic Information

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CAS Number

774-47-0

Molecular Formula

C8H3F2NO2

Molecular Weight

183.11 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

218-220 ºC

Density

1.578±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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C1=C2C(=CC(=C1F)F)NC(=O)C2=O

InChI

InChI=1S/C8H3F2NO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13)

InChIKey

FQIJOGDQWRLSQW-UHFFFAOYSA-N

LogP

1.0996

Topological Polar Surface Area

46.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

269

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

5 pound not6-difluoro-indoline-2 pound not3-dione
SCHEMBL1589486
5,6-Difluoroindoline-2,3-dione
5 pound not6-Difluoroindoline-2 pound not3-dione
Z247609852
AM20041157
AS-18678
FQIJOGDQWRLSQW-UHFFFAOYSA-N
MFCD02998377
5,6-difluoroindole-2,3-dione
SY012046
774-47-0
FT-0652103
SB66248
AKOS000147385
5,6-Difluoroisatin
5,6-bis(fluoranyl)-1H-indole-2,3-dione
SR-01000487869-1
CS-W002978
5,6-difluoro-1H-indole-2,3-dione
5,6-difluoro-indoline-2,3-dione
A840635
EN300-53703
1H-Indole-2,3-dione, 5,6-difluoro-
DTXSID401003691
SR-01000487869
5,6-Difluoro-3-hydroxy-2H-indol-2-one
J-516522
5,6-difluoro-2,3-dihydro-1H-indole-2,3-dione
5,6-difluoroisatine
1H-Inden-1-one,5,6-difluoro-2,3-dihydro

MDL Number

MFCD02998377

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5,6-Difluoro-1H-indole-2,3-dione (CAS: 774-47-0)?

5,6-Difluoro-1H-indole-2,3-dione is a crystalline solid with a molecular weight of approximately 197.04 g/mol. It has low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound exhibits moderate reactivity, particularly in nucleophilic substitution reactions, making it useful in various organic synthesis processes.

How is 5,6-Difluoro-1H-indole-2,3-dione (CAS: 774-47-0) typically synthesized?

5,6-Difluoro-1H-indole-2,3-dione is commonly synthesized via reactions involving the fluoroalkylation of indole followed by the formation of the dione structure. Common methods include the use of fluoroalkyl halides in the presence of a base, often using potassium carbonate or sodium hydride as catalysts.

What industries use 5,6-Difluoro-1H-indole-2,3-dione (CAS: 774-47-0)?

5,6-Difluoro-1H-indole-2,3-dione finds applications in the pharmaceutical industry, where it serves as a precursor in the synthesis of bioactive compounds. It is also utilized in the development of sensors and in the semiconductor industry for its unique electronic properties.

What precautions should be taken when handling 5,6-Difluoro-1H-indole-2,3-dione (CAS: 774-47-0)?

Proper handling of 5,6-Difluoro-1H-indole-2,3-dione requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a well-ventilated area and handled in a fume hood to minimize exposure. In case of spills, immediately clean up with appropriate absorbent materials and consult the Safety Data Sheet (SDS) for further guidance.