5-Nitro-1H-indazole-3-carbaldehyde

Basic Information

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CAS Number

677702-36-2

Molecular Formula

C8H5N3O3

Molecular Weight

191.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

463.4°C at 760 mmHg

Density

1.612

Flash Point

234.094 °C

SMILES

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

InChI

InChI=1S/C8H5N3O3/c12-4-8-6-3-5(11(13)14)1-2-7(6)9-10-8/h1-4H,(H,9,10)

InChIKey

UVUPPLXBIXJRKD-UHFFFAOYSA-N

LogP

1.80680

Complexity

253

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

J-517857
FT-0763204
5-Nitro indazole carboxaldehyde
C8H5N3O3
5-nitro-2H-indazole-3-carboxaldehyde
GS-4281
UVUPPLXBIXJRKD-UHFFFAOYSA-N
AMY16376
5-nitro-indazole-3-carbaldehyde
5-nitro-2H-indazole-3-carbaldehyde
CS-W006574
5-nitroindazole-3-aldehyde
DTXSID90613289
677702-36-2
MFCD07781436
SCHEMBL4517580
A867197
5-Nitro-1H-indazole-3-carboxaldehyde
AKOS006285922
AB42676
5-nitro-1H-indazole-3-carbaldehyde
EN300-1441549
Z1198174621
5-Nitro-1H-indazole-3-carbaldehyde
3-Formyl-5-nitro-1H-indazole
5-NITRO-3-(1H)INDAZOLE CARBOXALDEHYDE
5-nitroINDAZOLE carbaldehyde
FCH857263
SBB091243
RP25070
RP25071

MDL Number

MFCD07781436

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5-Nitro-1H-indazole-3-carbaldehyde (CAS: 677702-36-2)?

5-Nitro-1H-indazole-3-carbaldehyde is a white to off-white solid with a high melting point of 241-243°C. Its molecular weight is approximately 228.12 g/mol. This compound is poorly soluble in water but soluble in organic solvents like ethanol and acetone. It shows moderate reactivity with reducing agents and is less reactive with bases. It is a Lewis acid and can act as a electrophilic entity in various chemical reactions.

How is 5-Nitro-1H-indazole-3-carbaldehyde (CAS: 677702-36-2) typically synthesized?

5-Nitro-1H-indazole-3-carbaldehyde can be synthesized via nitration of 1H-indazole-3-carbaldehyde. Nitration is performed using nitric acid and sulfuric acid as the nitrating agent under controlled conditions to ensure selectivity towards the 3-position. The yield is generally around 75-85%, and the use of appropriate catalysts can enhance the reaction rate and selectivity.

What industries use 5-Nitro-1H-indazole-3-carbaldehyde (CAS: 677702-36-2)?

5-Nitro-1H-indazole-3-carbaldehyde finds applications in various industries, particularly in the pharmaceutical sector for the synthesis of bioactive compounds. It is also used in the development of sensors and as a building block in the polymer industry for the synthesis of functional polymers. Its unique chemical properties make it suitable for use in semiconductor applications as well.

What precautions should be taken when handling 5-Nitro-1H-indazole-3-carbaldehyde (CAS: 677702-36-2)?

When handling 5-Nitro-1H-indazole-3-carbaldehyde, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled with caution using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage. This compound is not highly toxic but can cause skin irritation and should be used with care.