3-Bromo-7-nitro-1H-indazole

Basic Information

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CAS Number

74209-34-0

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

Melting Point

175-185 °C

Boiling Point

248.9°C at 760 mmHg

Density

1.8856 (rough estimate)

Flash Point

104.3 °C

Solubility

ethanol: 25 mg/mL

Refractive Index

1.6200 (estimate)

SMILES

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C1=CC2=C(NN=C2C(=C1)[N+](=O)[O-])Br

InChI

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

InChIKey

NFSTZPMYAZRZPC-UHFFFAOYSA-N

LogP

2.75680

Complexity

220

Safety Information

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GHS Hazard Pictograms

H360

Hazard Statement

H360 May damage fertility or the unborn child
Reproductive toxicity

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Light Sensitive

Synonyms & References

English

1H-Indazole,3-bromo-7-nitro-
NCGC00024756-07
KBio2_000222
SR-01000075708-3
CCG-204256
GTPL5113
KBio2_002790
3-Bromo-7-nitro-1H-indazole
NCGC00015143-08
CHEMBL479014
BSPBio_002434
AKOS005070136
NCGC00015143-05
HMS1791L04
A15784
Q27073725
1W-0945
NCGC00024756-04
DTXSID90274319
CS-W020666
NCGC00015143-02
Bio1_000913
SB19947
BRD-K24689407-001-03-0
IDI1_033972
KBio3_000443
EU-0100161
Bromo-7-nitroindazole
DB01997
SR-01000075708
HY-101175

MDL Number

MFCD00159910

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-Bromo-7-nitro-1H-indazole (CAS: 74209-34-0)?

3-Bromo-7-nitro-1H-indazole (CAS: 74209-34-0) is a crystalline solid with a molecular weight of approximately 271.03 g/mol. It has a low solubility in water but is soluble in common organic solvents like methanol and dimethylformamide. Chemically, it is reactive towards nucleophiles and reducing agents. It exhibits good stability under normal conditions but should be stored in a dry environment to avoid hydrolysis.

How is 3-Bromo-7-nitro-1H-indazole (CAS: 74209-34-0) typically synthesized?

3-Bromo-7-nitro-1H-indazole is typically synthesized via bromination and nitration of indazole. Common methods involve reacting indazole with bromine in the presence of a phase transfer catalyst, followed by nitration using a nitric acid/sulphuric acid mixture. The product is purified by recrystallization from suitable solvents, ensuring high yield and selectivity.

What industries use 3-Bromo-7-nitro-1H-indazole (CAS: 74209-34-0)?

3-Bromo-7-nitro-1H-indazole (CAS: 74209-34-0) is primarily used in the pharmaceutical industry for the development of new drugs. It also finds applications in the synthesis of organic semiconductors and as a reagent in polymer chemistry. Its unique chemical structure makes it valuable for research in materials science and sensor technologies.

What precautions should be taken when handling 3-Bromo-7-nitro-1H-indazole (CAS: 74209-34-0)?

When handling 3-Bromo-7-nitro-1H-indazole (CAS: 74209-34-0), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a fume hood due to its potential volatility and reactivity. Proper spill handling procedures should be in place, and any unused material should be disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.