4-Nitro-1H-indole

Basic Information

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CAS Number

4769-97-5

Molecular Formula

C8H6N2O2

Molecular Weight

162.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

203.0 to 208.0 deg-C

Boiling Point

362.6°C at 760 mmHg

Flash Point

173.1℃

Refractive Index

1.5770 (estimate)

SMILES

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C1=CC2=C(C=CN2)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O2/c11-10(12)8-3-1-2-7-6(8)4-5-9-7/h1-5,9H

InChIKey

LAVZKLJDKGRZJG-UHFFFAOYSA-N

LogP

2.59930

Complexity

190

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

Hazard Class

Class IRRITANT Class IRRITANT

Class IRRITANT-HARMFUL Class IRRITANT-HARMFUL

Synonyms & References

English

AB01017
4-Nitroindole
A7294
Z1203017344
Maybridge1_006408
AKOS002838736
SCHEMBL28549
Indole, 4-nitro-
4-Nitro-1 H-indole
1H-Indole, 4-nitro-
LAVZKLJDKGRZJG-UHFFFAOYSA-
4-Nitro-1H-indole #
DTXSID60197243
InChI=1/C8H6N2O2/c11-10(12)8-3-1-2-7-6(8)4-5-9-7/h1-5,9H
4769-97-5
CHEMBL167872
N0628
MFCD00010056
PS-5982
Oprea1_676916
4-Nitroindole, 97%
FT-0619237
HY-40158
AM20061189
N-2980
4-Nitro-1H-indole
SY004697
HMS559L06
CS-D0681
BCP21164
EN300-78054

MDL Number

MFCD00010056

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-Nitro-1H-indole (CAS: 4769-97-5)?

4-Nitro-1H-indole (CAS: 4769-97-5) is a yellow crystalline solid with a molecular weight of 177.08 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol. It is moderately reactive and can undergo nitration and reduction reactions. The compound is stable under normal conditions but should be stored away from heat and reducing agents.

How is 4-Nitro-1H-indole (CAS: 4769-97-5) typically synthesized?

4-Nitro-1H-indole (CAS: 4769-97-5) is typically synthesized by the nitration of indole. A mixture of indole and sulfuric acid is treated with a nitric acid solution. The process is carried out in a water bath to maintain the temperature and ensure a high yield. The product is then purified by recrystallization.

What industries use 4-Nitro-1H-indole (CAS: 4769-97-5)?

4-Nitro-1H-indole (CAS: 4769-97-5) is used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the production of dyes and pigments. Additionally, it is used in the development of sensors and as a precursor in the synthesis of semiconductors.

What precautions should be taken when handling 4-Nitro-1H-indole (CAS: 4769-97-5)?

When handling 4-Nitro-1H-indole (CAS: 4769-97-5), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.