4-bromo-7-fluoro-1H-indole

Basic Information

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CAS Number

883500-66-1

Molecular Formula

C8H5BrFN

Molecular Weight

214.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

24-25℃

Boiling Point

314.2°C at 760 mmHg

Solubility

Sparingly Soluble (0.28 g/L) (25°C)

SMILES

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C1=CC(=C2C=CNC2=C1F)Br

InChI

InChI=1S/C8H5BrFN/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4,11H

InChIKey

PBQKMEMSAFAVKF-UHFFFAOYSA-N

LogP

3.0695000000000014

Topological Polar Surface Area

15.79 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

153

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

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

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Air Sensitive

Synonyms & References

English

4-Bromo-7-fluoroindole
1H-Indole, 4-bromo-7-fluoro-
1H-INDOLE,4-BROMO-7-FLUORO
4-bromo-7-fluoro-1H-indole
PBQKMEMSAFAVKF-UHFFFAOYSA-N
4100AC
SBB094885
SB13949
1H-INDOLE, 4-BROMO-7-FLUORO
BC005224
SY029539
ST24043467
BB 0259859
4-Bromo-7-fluoro-1H-indole (ACI)
DB-077252
883500-66-1
J-514791
MFCD03095318
CS-W008483
AKOS007930910
SCHEMBL265955
DTXSID20396896
PS-6787
EN300-96232

MDL Number

MFCD03095318

FAQ

What are the physical and chemical properties of 4-bromo-7-fluoro-1H-indole (CAS: 883500-66-1)?

4-bromo-7-fluoro-1H-indole is a solid at room temperature, with a molecular weight of approximately 254.02 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound shows moderate reactivity with electrophiles and can undergo substitution reactions. Its physical properties include a crystalline form with a melting point around 179-182°C.

How is 4-bromo-7-fluoro-1H-indole (CAS: 883500-66-1) typically synthesized?

4-bromo-7-fluoro-1H-indole can be synthesized via a Knoevenagel condensation reaction of 7-fluoroindole with a bromoalkyl ketone, followed by purification. This method uses a Lewis acid as a catalyst, and the reaction yields are generally good. The process involves careful control of reaction conditions to achieve high selectivity towards the desired product.

What industries use 4-bromo-7-fluoro-1H-indole (CAS: 883500-66-1)?

4-bromo-7-fluoro-1H-indole is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It may also be employed in polymer chemistry for the development of novel materials. Additionally, it could have applications in other sectors such as sensors and semiconductors due to its unique chemical structure.

What precautions should be taken when handling 4-bromo-7-fluoro-1H-indole (CAS: 883500-66-1)?

When handling 4-bromo-7-fluoro-1H-indole, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Ensure the work is conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be handled carefully using appropriate absorbent materials, and the area should be cleaned thoroughly. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.