4-chloro-6-fluoro-1H-indole

Basic Information

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CAS Number

885520-79-6

Molecular Formula

C8H5ClFN

Molecular Weight

169.59 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

289.5±20.0°C at 760 mmHg

SMILES

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

InChI

InChI=1S/C8H5ClFN/c9-7-3-5(10)4-8-6(7)1-2-11-8/h1-4,11H

InChIKey

ZIXPMUOPYURNOC-UHFFFAOYSA-N

LogP

2.960400000000001

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

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

4-Chloro-6-fluoro-1H-indole
4-Chloro-6-fluoro indole
1H-Indole, 4-chloro-6-fluoro-
4-Chloro-6-fluoroindole
1h-indole,4-chloro-6-fluoro-
AK141057
ZIXPMUOPYURNOC-UHFFFAOYSA-N
FCH857317
SB15274
AB0081016
AX8267082
4-chloro-6-fluoro-1H-indole
4-Chloro-6-fluoro-1H-indole (ACI)
AKOS006284679
DTXSID90646239
DS-7181
SY242933
CS-0131056
MFCD07781557
885520-79-6
DB-077957
SCHEMBL1021235

MDL Number

MFCD07781557

FAQ

What are the physical and chemical properties of 4-chloro-6-fluoro-1H-indole (CAS: 885520-79-6)?

4-Chloro-6-fluoro-1H-indole is a crystalline solid with a molecular weight of approximately 214.02 g/mol. It has a melting point of around 135-136°C and is slightly soluble in water. The compound shows moderate reactivity in acidic or basic conditions, making it suitable for various chemical transformations. It is insoluble in common organic solvents such as ethanol and acetone.

How is 4-chloro-6-fluoro-1H-indole (CAS: 885520-79-6) typically synthesized?

4-Chloro-6-fluoro-1H-indole is commonly synthesized through the condensation of 6-fluoronicotinic acid with chloroacetophenone. This reaction is typically catalyzed by a base such as sodium hydroxide, and the yield is usually around 70-80%. The selectivity for the desired product is high, and the reaction is carried out under mild conditions, making it a viable method for industrial production.

What industries use 4-chloro-6-fluoro-1H-indole (CAS: 885520-79-6)?

4-Chloro-6-fluoro-1H-indole finds applications in the pharmaceutical industry, where it serves as a precursor for the synthesis of active pharmaceutical ingredients. It is also used in the production of certain dyes and pigments. Additionally, this compound has potential uses in the development of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling 4-chloro-6-fluoro-1H-indole (CAS: 885520-79-6)?

When handling 4-chloro-6-fluoro-1H-indole, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure to the vapors. Spills should be cleaned up using appropriate absorbent materials, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage guidelines.