4-Chloro-6-methoxyindole

Basic Information

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CAS Number

93490-31-4

Molecular Formula

C9H8ClNO

Molecular Weight

181.62 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

333.9°C at 760 mmHg

SMILES

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COC1=CC2=C(C=CN2)C(=C1)Cl

InChI

InChI=1S/C9H8ClNO/c1-12-6-4-8(10)7-2-3-11-9(7)5-6/h2-5,11H,1H3

InChIKey

ROZQWTXWGPFHST-UHFFFAOYSA-N

LogP

2.829900000000001

Topological Polar Surface Area

25.02 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

165

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

4-Chloro-6-methoxy-1H-indole
4-Chloro-6-methoxy Indole
1H-Indole,4-chloro-6-methoxy
4-chlor-6-methoxyindol
OR6800T
4-Chloro-6-methoxyindole
1H-Indole, 4-chloro-6-methoxy-
62M589BM1E
5865AC
ST24043612
490C314
Q27263498
4-Chloro-6-methoxy-1H-indole (ACI)
93490-31-4
NS00125077
DTXCID70161930
UNII-62M589BM1E
AKOS016007652
DS-14722
4-Chloro-6-methoxy indole
SCHEMBL6006582
4-chloro-6-methoxy-1H-indole
DTXSID00239439
DB-079596
MFCD00238559

MDL Number

MFCD00238559

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-Chloro-6-methoxyindole (CAS: 93490-31-4)?

4-Chloro-6-methoxyindole is a crystalline compound with a molecular weight of approximately 226.64 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it is moderately reactive, particularly with nucleophiles and electrophiles. It can undergo substitution reactions and condensation reactions, making it useful in organic synthesis.

How is 4-Chloro-6-methoxyindole (CAS: 93490-31-4) typically synthesized?

4-Chloro-6-methoxyindole is typically synthesized via a multistep process involving the first formation of 6-methoxyindole from indole and methanol using an acid catalyst. Subsequently, chlorination is performed to introduce the chlorine atom. The overall process involves careful control of reaction conditions to ensure high yield and selectivity.

What industries use 4-Chloro-6-methoxyindole (CAS: 93490-31-4)?

4-Chloro-6-methoxyindole finds applications in the pharmaceutical industry as an intermediate in drug synthesis. It is also used in the polymer industry for certain polymer modifications and in the sensor industry for developing chemical sensors. Additionally, it has potential uses in the semiconductor industry for organic electronics.

What precautions should be taken when handling 4-Chloro-6-methoxyindole (CAS: 93490-31-4)?

When handling 4-Chloro-6-methoxyindole, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. This compound should be stored in a well-ventilated area and handled under a fume hood due to its volatility. Spills should be cleaned up using suitable absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.