7-Bromo-5-nitro-1H-indole

Basic Information

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CAS Number

87240-07-1

Molecular Formula

C8H5BrN2O2

Molecular Weight

241.04 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

402.3°C at 760 mmHg

SMILES

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O=[N+](C1=CC2=C(NC=C2)C(Br)=C1)[O-]

InChI

InChI=1S/C8H5BrN2O2/c9-7-4-6(11(12)13)3-5-1-2-10-8(5)7/h1-4,10H

InChIKey

XXJOZTUJVYCOMP-UHFFFAOYSA-N

LogP

3.36180

Complexity

219

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

Synonyms & References

English

7-Bromo-5-nitro-1H-indole
7-Bromo-5-nitroindole
1H-Indole, 7-bromo-5-nitro-
AK126229
XXJOZTUJVYCOMP-UHFFFAOYSA-N
1190AF
SBB099363
FCH1366765
SB13894
7-Bromo-5-nitro-1H-indole, AldrichCPR
AX8110377
7-bromo-5-nitro-1H-indole
7-Bromo-5-nitro-1H-indole (ACI)

MDL Number

MFCD04038858

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 7-Bromo-5-nitro-1H-indole (CAS: 87240-07-1)?

7-Bromo-5-nitro-1H-indole (CAS: 87240-07-1) is a crystalline solid with a molecular weight of approximately 251.04 g/mol. It has a high melting point around 250-255°C. This compound is slightly soluble in water but soluble in organic solvents like ethanol and acetonitrile. It is chemically reactive, particularly towards nucleophiles and reductants, and can undergo substitution reactions.

How is 7-Bromo-5-nitro-1H-indole (CAS: 87240-07-1) typically synthesized?

7-Bromo-5-nitro-1H-indole is typically synthesized via the nitration of indole followed by bromination. Common methods involve using nitric acid and sulfuric acid as the nitration reagents, and bromine in the presence of a base like sodium hydroxide for bromination. The overall yield is moderate, and selective functionalization is achieved through careful control of reaction conditions.

What industries use 7-Bromo-5-nitro-1H-indole (CAS: 87240-07-1)?

7-Bromo-5-nitro-1H-indole is used in the pharmaceutical industry for the synthesis of potential drug candidates. It is also relevant in research for the development of sensors and semiconductors where specific molecular structures are required. Its applications in polymer chemistry and as a precursor for advanced materials are also being explored.

What precautions should be taken when handling 7-Bromo-5-nitro-1H-indole (CAS: 87240-07-1)?

When handling 7-Bromo-5-nitro-1H-indole (CAS: 87240-07-1), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation. Spills should be handled carefully, using appropriate absorbents, and the area should be thoroughly cleaned. Always refer to the safety data sheet (SDS) for detailed safety information.