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

Basic Information

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CAS Number

885520-70-7

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

SMILES

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

InChI

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

InChIKey

DMOWKZSCECYXSE-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

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

4-Bromo-6-fluoro-1H-indole
4-Bromo-6-fluoroindole
1H-INDOLE,4-BROMO-6-FLUORO
4-Bromo-6-fluoro (1H)indazole
PubChem23229
4-bromo-6-fluoro-indole
DMOWKZSCECYXSE-UHFFFAOYSA-N
SB15135
SY031157
BC004897
AK113709
AB0049685
ST24023393
Z5269
4-bromo-6-fluoro-1H-indole
4-Bromo-6-fluoro-1H-indole (ACI)
AC-29794
DTXSID50646235
DS-6340
SCHEMBL996179
885520-70-7
AKOS005259813
MFCD08272203
DB-077956
CS-W019334

MDL Number

MFCD08272203

FAQ

What are the physical and chemical properties of 4-bromo-6-fluoro-1H-indole (CAS: 885520-70-7)?

4-bromo-6-fluoro-1H-indole (CAS: 885520-70-7) is a crystalline solid with a molecular weight of approximately 233.02 g/mol. It has low solubility in water but is soluble in organic solvents such as methanol and dichloromethane. The compound is relatively stable but can react with reducing agents. It is insoluble in water and has a melting point of around 205-208°C.

How is 4-bromo-6-fluoro-1H-indole (CAS: 885520-70-7) typically synthesized?

4-bromo-6-fluoro-1H-indole (CAS: 885520-70-7) is typically synthesized via a fluorination and bromination step starting from indole. Common methods include the use of trifluoroacetic anhydride for fluorination followed by bromination with N-bromosuccinimide in the presence of a photoinitiator. The yield is generally around 70-80%, and the reaction is highly selective.

What industries use 4-bromo-6-fluoro-1H-indole (CAS: 885520-70-7)?

4-bromo-6-fluoro-1H-indole (CAS: 885520-70-7) is used in the pharmaceutical industry for the synthesis of various bioactive compounds. It also has applications in the field of organic electronics, where it can be used as a precursor for semiconductors. Additionally, it may be utilized in the development of sensors and as a precursor in polymer synthesis.

What precautions should be taken when handling 4-bromo-6-fluoro-1H-indole (CAS: 885520-70-7)?

When handling 4-bromo-6-fluoro-1H-indole (CAS: 885520-70-7), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated fume hood, and ensure proper spill containment and disposal methods are in place. Keep the compound away from reducing agents to prevent unwanted reactions. Refer to the safety data sheet (SDS) for detailed information on handling and storage.