1H-Indole-5,6-diol

Basic Information

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CAS Number

3131-52-0

Molecular Formula

C8H7NO2

Molecular Weight

149.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

411.2℃ at 760 mmHg

SMILES

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Oc1cc2[nH]ccc2cc1O

InChI

InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H

InChIKey

SGNZYJXNUURYCH-UHFFFAOYSA-N

LogP

1.5791

Topological Polar Surface Area

56.25 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

151

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

5,6-Dihydroxyindole
INDOLE-5,6-DIOL
DOPAMINE LUTINE
DIHYDROXYINDOLE
1H-indole-5,6-diol
5,6-DIYDROXYINDOLE
5,6-Dihydroxy-1H-indole
3H-INDOLE-5,6-DIOL
3ID
5,6-dihydroxyindol
5,6-dihydroxy-indole
5,6-Dihydroxyindoline
dhi
Indol-5,6-diol

MDL Number

MFCD00798933

Customs Code

2933990090

FAQ

What is 1H-Indole-5,6-diol (CAS: 3131-52-0)?

1H-Indole-5,6-diol (CAS: 3131-52-0) is a heterocyclic organic compound containing two hydroxyl groups on the indole ring. It is a white crystalline solid with a molecular formula of C8H8O2 and exhibits moderate solubility in polar solvents. This compound is known for its biological activity and is used as a key intermediate in pharmaceutical research.

What are the main uses of 1H-Indole-5,6-diol (CAS: 3131-52-0)?

1H-Indole-5,6-diol (CAS: 3131-52-0) is primarily utilized in pharmaceutical development for synthesizing drugs targeting inflammation and cancer. It also serves as a research tool in biochemistry and organic synthesis. Additionally, it may find applications in specialty chemicals and as a precursor for functional materials due to its reactivity and structural versatility.

Is 1H-Indole-5,6-diol (CAS: 3131-52-0) safe?

1H-Indole-5,6-diol (CAS: 3131-52-0) is generally considered safe when handled properly, but it requires caution. Limited toxicity data exists, but skin and eye irritation may occur upon exposure. Protective measures such as gloves, ventilation, and avoiding ingestion are recommended. Always follow safety guidelines for chemical handling and storage.

How should 1H-Indole-5,6-diol (CAS: 3131-52-0) be stored?

1H-Indole-5,6-diol (CAS: 3131-52-0) should be stored in a sealed, cool, and dry container, away from light and moisture. It is stable at low temperatures (typically 2-8°C) and should be kept in a well-ventilated area. Avoid exposure to air and use airtight containers to maintain purity and prevent degradation.