6-bromo-4-fluoro-1H-indole

Basic Information

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CAS Number

885520-59-2

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

Density

1.750±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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C1=CNC2=C1C(=CC(=C2)Br)F

InChI

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

InChIKey

VTODDAKQRGKCGF-UHFFFAOYSA-N

LogP

3.0695000000000006

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

Synonyms & References

English

6-Bromo-4-fluoro-1H-indole
6-BROMO-4-FLUORO INDOLE
4-Fluoro-6-bromoindole
6-Bromo-4-fluoroindole
AK119716
4-Fluoro-6-bromo-indole
VTODDAKQRGKCGF-UHFFFAOYSA-N
4351AC
SB15134
FCH1385698
AX8245132
ST2406417
6-bromo-4-fluoro-1H-indole
6-Bromo-4-fluoro-1H-indole (ACI)
6-Bromo-4-fluoro-indole
885520-59-2
DTXSID10646231
AKOS015898371
EN300-747122
CS-W019408
SCHEMBL1021334
SY114760
DTXCID90596982
DS-2828
MFCD07781550
P10508
DB-077954
Z1269127261
6-Bromo-4-fluoro indole

MDL Number

MFCD07781550

FAQ

What are the physical and chemical properties of 6-bromo-4-fluoro-1H-indole (CAS: 885520-59-2)?

6-Bromo-4-fluoro-1H-indole (CAS: 885520-59-2) is a crystalline solid with a molecular weight of approximately 234.03 g/mol. This compound has a low water solubility (less than 1 g/L), making it poorly soluble in water. It is moderately soluble in common organic solvents like ethanol and acetonitrile. The compound is known for its moderate reactivity, particularly towards nucleophilic substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is 6-bromo-4-fluoro-1H-indole (CAS: 885520-59-2) typically synthesized?

6-Bromo-4-fluoro-1H-indole (CAS: 885520-59-2) can be synthesized through a multistep process involving the bromination of 4-fluoro-1H-indole followed by further functional group modifications. Common synthetic methods include the use of N-bromosuccinimide (NBS) for bromination under UV light, with selectivity towards the indole ring. The overall yield of the final product is generally around 70-80%, depending on the purity of starting materials and reaction conditions.

What industries use 6-bromo-4-fluoro-1H-indole (CAS: 885520-59-2)?

6-Bromo-4-fluoro-1H-indole (CAS: 885520-59-2) finds applications in various industries, particularly in pharmaceuticals where it serves as an intermediate for synthesizing drug candidates. It is also used in the development of materials for sensors and semiconductors due to its unique electronic properties. Its chemical reactivity makes it suitable for use in polymer synthesis, contributing to the development of advanced materials with specific functionalities.

What precautions should be taken when handling 6-bromo-4-fluoro-1H-indole (CAS: 885520-59-2)?

When handling 6-bromo-4-fluoro-1H-indole (CAS: 885520-59-2), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The substance should be stored in a cool, dry place away from direct sunlight and heat sources. Spills should be handled with care, using appropriate absorbent materials, and the area should be ventilated. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures. This compound should not be inhaled and should not come into contact with skin or eyes.