6-Bromo-4-nitro-1H-indazole

Basic Information

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CAS Number

885518-46-7

Molecular Formula

C7H4BrN3O2

Molecular Weight

242.03 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

Physical State

White to Yellow Solid

Density

1.965

SMILES

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C1=C(C=C(C2=C1NN=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C7H4BrN3O2/c8-4-1-6-5(3-9-10-6)7(2-4)11(12)13/h1-3H,(H,9,10)

InChIKey

AHEMYGJJCOXPSP-UHFFFAOYSA-N

LogP

2.75680

Complexity

220

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

6-Bromo-4-nitro-1H-indazole
1H-Indazole, 6-bromo-4-nitro-
1H-Indazole,6-bromo-4-nitro
6-bromo-4-nitro-indazole
6-BROMO-4-NITROINDAZOLE
4-nitro-6-bromo-(1h)-indazole
AHEMYGJJCOXPSP-UHFFFAOYSA-N
BBL101667
WT1254
STL555463
OR61053
FCH1382851
TRA0082011
PB21011
SY015363
6-Bromo-4-nitro-1H-indazole, AldrichCPR
ST1100678
AX8212035
6-bromo-4-nitro-1H-indazole
6-Bromo-4-nitro-1H-indazole (ACI)
SCHEMBL1250107
885518-46-7
CS-M0320
DTXSID50646134
AKOS007930449
MFCD07368216
J-518402
AC-28255
EN300-1699456
DS-16327

MDL Number

MFCD07368216

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 6-Bromo-4-nitro-1H-indazole (CAS: 885518-46-7)?

6-Bromo-4-nitro-1H-indazole (CAS: 885518-46-7) is a crystalline solid with a molecular weight of approximately 267.04 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. The compound is known for its high reactivity, particularly with reducing agents and nucleophiles. It exhibits typical amphoteric behavior, reacting both as an acid and a base under certain conditions.

How is 6-Bromo-4-nitro-1H-indazole (CAS: 885518-46-7) typically synthesized?

6-Bromo-4-nitro-1H-indazole (CAS: 885518-46-7) is typically synthesized through nitration of indazole followed by bromination. Common methods involve using concentrated nitric acid (HNO3) and sulfuric acid (H2SO4) as the nitration reagents, followed by bromination using bromine (Br2) in the presence of a base like potassium hydroxide (KOH). The reaction is carried out under carefully controlled conditions to achieve high yield and selectivity.

What industries use 6-Bromo-4-nitro-1H-indazole (CAS: 885518-46-7)?

6-Bromo-4-nitro-1H-indazole (CAS: 885518-46-7) is primarily used in the pharmaceutical and chemical industries. It serves as a key intermediate in the synthesis of various medicinal compounds, particularly those involving aromatic substitution reactions. Its applications include the development of new drugs, sensors, and materials for electronic devices.

What precautions should be taken when handling 6-Bromo-4-nitro-1H-indazole (CAS: 885518-46-7)?

When handling 6-Bromo-4-nitro-1H-indazole (CAS: 885518-46-7), it is essential to use personal protective equipment (PPE) including safety goggles, gloves, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.