ChemicalBook--->CAS DataBase List--->78155-76-7

78155-76-7

78155-76-7 Structure

78155-76-7 Structure
IdentificationBack Directory
[Name]

5-Nitroindazole-3-carboxylic acid
[CAS]

78155-76-7
[Synonyms]

Nitro indazole carboxylic acid
5-NITRO INDAZOLE CARBOXYLIC ACID
5-NITROINDAZOLE-3-CARBOXYLIC ACID
Nitro indazole carboxylic acid (70%)
5-NITRO-1H-INDAZOLE-3-CARBOXYLIC ACID
5-NITRO-3-(1H)INDAZOLE CARBOXYLIC ACID
1H-Indazole-3-carboxylic acid, 5-nitro-
[Molecular Formula]

C8H5N3O4
[MDL Number]

MFCD05663993
[MOL File]

78155-76-7.mol
[Molecular Weight]

207.14
Chemical PropertiesBack Directory
[Melting point ]

280 °C(Solv: acetic acid (64-19-7))
[Boiling point ]

547.1±30.0 °C(Predicted)
[density ]

1.733±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

2.51±0.30(Predicted)
[Appearance]

Light yellow to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Danger
[Hazard statements ]

H228
[Precautionary statements ]

P210-P240-P241-P280-P370+P378
Spectrum DetailBack Directory
[Spectrum Detail]

5-Nitroindazole-3-carboxylic acid(78155-76-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

5-NITRO INDAZOLE CARBOXALDEHYDE

677702-36-2

5-Nitroindazole-3-carboxylic acid

78155-76-7

The general procedure for the synthesis of 5-nitroindazole-3-carboxylic acid from 5-nitroindazole-3-aldehyde was as follows: potassium permanganate (KMnO4, 15 g, 94.91 mmol) was dissolved in 300 mL of water and added slowly and dropwise at room temperature to 1000 mL of acetone solution containing 52.35 mmol of raw material. The reaction mixture was stirred at room temperature for 6 hours. Subsequently, 50 mL of 30% hydrogen peroxide (H2O2) was added dropwise to neutralize the remaining potassium permanganate. The reaction mixture was filtered to remove insoluble matter and then concentrated by distillation under reduced pressure. After acidification of the concentrate, the precipitate was collected by filtration and recrystallized from methanol to give a final 6. yellow solid product; yield 79% (8.56 g); melting point: 191-193°C.

[References]

[1] Monatshefte fur Chemie, 2017, vol. 148, # 2, p. 305 - 314
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