7-Nitro-2H-indazole

Basic Information

View in Editor

CAS Number

2942-42-9

Molecular Formula

C7H5N3O2

Molecular Weight

163.13 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

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

184.0 to 188.0 deg-C

Boiling Point

383.3℃ at 760 mmHg

Flash Point

185.6 °C

Refractive Index

1.5500 (estimate)

SMILES

View in Editor

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

InChI

InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)

InChIKey

PQCAUHUKTBHUSA-UHFFFAOYSA-N

LogP

1.99430

Complexity

192

Safety Information

View Safety Information

GHS Hazard Pictograms

H301

H319

H351

H360

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H351 Suspected of causing cancer
Carcinogenicity

H360 May damage fertility or the unborn child
Reproductive toxicity

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

NSC 72843
HMS2235A13
MLS001074098
NCGC00015750-08
InChI=1/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
UX0N37CMVH
NCGC00015750-10
MLS001424158
NSC-72843
Spectrum3_001980
NCGC00015750-05
SPBio_001730
DTXSID30183638
BRN 0006809
SY003892
NCIOpen2_000477
7-Nitroindazole (7-NI)
A03-0007
HY-69019
NCGC00021621-05
SCHEMBL216995
7-Nitroisoindazole
SR-01000075512
A5492
NCGC00015750-02
BRD-K04430056-001-02-9
7-nitro-indazole
Q-102369
PD000923
PQCAUHUKTBHUSA-UHFFFAOYSA-
SPECTRUM1505342

MDL Number

MFCD00022789

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 7-Nitro-2H-indazole (CAS: 2942-42-9)?

7-Nitro-2H-indazole (CAS: 2942-42-9) is a yellow solid with a crystalline form. Its molecular weight is approximately 167.11 g/mol. It has a solubility of 1.5 mg/mL in water and is practically insoluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can undergo nitration and reduction reactions. It is soluble in common organic solvents such as dichloromethane and acetonitrile.

How is 7-Nitro-2H-indazole (CAS: 2942-42-9) typically synthesized?

7-Nitro-2H-indazole is typically synthesized by nitration of 2H-indazole with concentrated nitric acid in the presence of a catalyst like sulfuric acid. The process requires careful temperature control to achieve high yield and selectivity. The overall yield is around 70-80%, and the reaction is exothermic, necessitating cooling to prevent decomposition.

What industries use 7-Nitro-2H-indazole (CAS: 2942-42-9)?

7-Nitro-2H-indazole is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also finds applications in the polymer industry for the development of functional polymers, in the semiconductor industry for organic electronic devices, and in the sensor industry for the fabrication of gas sensors.

What precautions should be taken when handling 7-Nitro-2H-indazole (CAS: 2942-42-9)?

When handling 7-Nitro-2H-indazole (CAS: 2942-42-9), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be immediately cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for specific handling and disposal instructions.