7-Fluoro-1-methyl-1H-indole-2,3-dione

Basic Information

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CAS Number

875003-43-3

Molecular Formula

C9H6FNO2

Molecular Weight

179.15 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

Boiling Point

289.2°C at 760 mmHg

SMILES

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O=C1N(C)C2=C(C=CC=C2F)C1=O

InChI

InChI=1S/C9H6FNO2/c1-11-7-5(8(12)9(11)13)3-2-4-6(7)10/h2-4H,1H3

InChIKey

XWTUHLYJQKEZSI-UHFFFAOYSA-N

LogP

0.9847999999999999

Topological Polar Surface Area

37.38 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

266

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

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

Synonyms & References

English

7-fluoro-1-Methyl-1H-Indole-2,3-dione
7-Fluoro-1-methylindoline-2,3-dione
7-fluoro-n-methylisatin
XWTUHLYJQKEZSI-UHFFFAOYSA-N
AK175294
7-fluoro-1-methyl-2,3-dihydro-1H-indole-2,3-dione
7-Fluoro-1-methyl-1H-indole-2,3-dione (ACI)
7-Fluoro-1-methylisatin
7-Fluoro-N-methylisatin

MDL Number

MFCD21984607

FAQ

What are the physical and chemical properties of 7-Fluoro-1-methyl-1H-indole-2,3-dione (CAS: 875003-43-3)?

7-Fluoro-1-methyl-1H-indole-2,3-dione is a solid with a crystalline form. Its molecular weight is approximately 225.13 g/mol. This compound is moderately soluble in organic solvents such as dichloromethane and acetone but less soluble in water. It exhibits good stability under neutral conditions but can be sensitive to strong bases and acids. The compound is typically used in organic synthesis due to its reactivity with various electrophiles.

How is 7-Fluoro-1-methyl-1H-indole-2,3-dione (CAS: 875003-43-3) typically synthesized?

7-Fluoro-1-methyl-1H-indole-2,3-dione is commonly synthesized via the reaction of indole with radioactive fluorine-18 or by the fluoroalkylation of indole derivatives. The synthesis often involves the use of a Lewis acid catalyst and proceeds with good selectivity. The yield of the product can be as high as 80% under optimized conditions.

What industries use 7-Fluoro-1-methyl-1H-indole-2,3-dione (CAS: 875003-43-3)?

7-Fluoro-1-methyl-1H-indole-2,3-dione is primarily used in the pharmaceutical industry for the development of novel drugs. It also finds applications in the synthesis of various organic compounds, including polymers and sensors, due to its reactivity and functional groups.

What precautions should be taken when handling 7-Fluoro-1-methyl-1H-indole-2,3-dione (CAS: 875003-43-3)?

When handling 7-Fluoro-1-methyl-1H-indole-2,3-dione, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated fume hood to avoid inhalation of the compound. Spills should be cleaned up immediately using appropriate absorbent material and the area should be thoroughly washed. Emergency showers and eye wash stations should be readily accessible. Safety data sheets (SDS) should be consulted for detailed safety information.