5-fluoro-2-methyl-1H-indole-3-carbaldehyde

Basic Information

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CAS Number

815586-68-6

Molecular Formula

C10H8FNO

Molecular Weight

177.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

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

Physical State

Pale-yellow to Yellow-brown Solid

Boiling Point

347.7°C at 760 mmHg

Density

1.321±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

164.1°C

Refractive Index

1.67

SMILES

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CC1=C(C2=C(N1)C=CC(=C2)F)C=O

InChI

InChI=1S/C10H8FNO/c1-6-9(5-13)8-4-7(11)2-3-10(8)12-6/h2-5,12H,1H3

InChIKey

FISQQNGEDJOACY-UHFFFAOYSA-N

LogP

2.4279200000000003

Topological Polar Surface Area

32.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

209

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

815586-68-6
FISQQNGEDJOACY-UHFFFAOYSA-N
Z234796410
CS-0172060
5-Fluoro-2-methyl-1H-indole-3-carbaldehyde
AMY7406
NCGC00334537-01
F3250-0725
AKOS000505627
MFCD07643210
SCHEMBL2062443
5-FLUORO-3-FORMYL-2-METHYL-INDOLE
AB01326960-02
A916376
EN300-131798
AS-37756
5-Fluoro-2-methyl-1H-indole-3-carbaldehyde, AldrichCPR
DTXSID30424371
FT-0742505
5-fluoro-2-methyl-1h-indole-3-carboxaldehyde
SB15038
TIMTEC-BB SBB010606
5-Fluoro-2-methylindole-3-carboxaldehyde
5-fluoro-2-methyl-1H-indole-3-carbaldehyde

MDL Number

MFCD07643210

FAQ

What are the physical and chemical properties of 5-fluoro-2-methyl-1H-indole-3-carbaldehyde (CAS: 815586-68-6)?

5-fluoro-2-methyl-1H-indole-3-carbaldehyde is a crystalline solid with a molecular weight of 212.22 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. This compound is reactive, particularly towards nucleophiles and reducing agents. It has a melting point of around 180-182°C and shows good reactivity in various chemical transformations.

How is 5-fluoro-2-methyl-1H-indole-3-carbaldehyde (CAS: 815586-68-6) typically synthesized?

5-fluoro-2-methyl-1H-indole-3-carbaldehyde can be synthesized through the aromatic substitution of 2-methyl-1H-indole-3-carbaldehyde with fluorine using fluorine gas in the presence of an iron catalyst. The reaction is carried out under anhydrous conditions to ensure high yield and selectivity. The use of fluoride salts or fluorine gas is common, with the goal of achieving a high level of product purity and yield.

What industries use 5-fluoro-2-methyl-1H-indole-3-carbaldehyde (CAS: 815586-68-6)?

5-fluoro-2-methyl-1H-indole-3-carbaldehyde is primarily used in the pharmaceutical industry for the synthesis of various drug candidates. It also finds applications in the field of polymer chemistry for the development of new materials, and in chemical sensors for detection of specific analytes. Some researchers are exploring its use in semiconductor technology for the modification of electronic properties.

What precautions should be taken when handling 5-fluoro-2-methyl-1H-indole-3-carbaldehyde (CAS: 815586-68-6)?

When handling 5-fluoro-2-methyl-1H-indole-3-carbaldehyde, it is important to wear appropriate personal protective equipment (PPE), including gloves, lab coat, and safety glasses. The compound should be stored under inert gas (e.g., nitrogen) to prevent oxidation. Fume hoods should be used during preparation and handling to minimize exposure. In case of a spill, the area should be immediately flushed with water and the material reported to the safety officer. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.