3-Chloro-5-nitro-1H-indazole | CAS No. 4812-45-7

3-Chloro-5-nitro-1H-indazole

Basic Information

CAS Number

4812-45-7

Molecular Formula

C7H4ClN3O2

Molecular Weight

197.58 g/mol

AD

Basic Physical Properties

Melting Point

218-220

Boiling Point

234.7℃ at 760 mmHg

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

InChI

InChI=1S/C7H4ClN3O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10)

InChIKey

UOWPRWCAMGTPHI-UHFFFAOYSA-N

LogP

2.64770

Complexity

220

Safety Information

View Safety Information

Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

  • SY020588
  • PB23162
  • EINECS 225-380-7
  • AKOS005072371
  • Indazole, 3-chloro-5-nitro-
  • BRN 0013635
  • 4812-45-7
  • EN300-97377
  • NSC-108652
  • 3-Chloro-5-nitroindazole
  • NSC108652
  • 1H-Indazole, 3-chloro-5-nitro-
  • Chloro-3 nitro-5 indazole [French]
  • AMY26996
  • DTXSID80197427
  • 2-23-00-00151 (Beilstein Handbook Reference)
  • Chloro-3 nitro-5 indazole
  • EA-0864
  • NSC 108652
  • 3-CHLORO-5-NITRO-INDAZOLE
  • 3-Chloro-5-nitro-1H-indazole
  • 3-chloro-5-nitro-2H-indazole
  • J-512282
  • FT-0635450
  • MFCD00005692
  • SCHEMBL760760
  • A871950
  • NS00031765
  • 1H-INDAZOLE,3-CHLORO-5-NITRO
  • 1H-Indazole,3-chloro-5-nitro-
  • 3-Chloro-5-nitro (1H)indazole

MDL Number

MFCD00005692

FAQ

What are the physical and chemical properties of 3-Chloro-5-nitro-1H-indazole (CAS: 4812-45-7)?

3-Chloro-5-nitro-1H-indazole is a crystalline solid with a molecular weight of approximately 228.57 g/mol. It is only slightly soluble in water but soluble in common organic solvents like ethanol and acetone. The compound is known for its high reactivity towards nucleophiles and can undergo substitution reactions easily. It is a yellowish to orange crystalline solid at room temperature.

How is 3-Chloro-5-nitro-1H-indazole (CAS: 4812-45-7) typically synthesized?

3-Chloro-5-nitro-1H-indazole can be synthesized via the nitration of 3-chloro-1H-indazole followed by the removal of the hydroxyl group. Commonly, this involves refluxing 3-chloro-1H-indazole with nitric acid in the presence of sulfuric acid. The yield of the reaction is typically around 75-85%, with careful control of reaction conditions to achieve high selectivity and purity.

What industries use 3-Chloro-5-nitro-1H-indazole (CAS: 4812-45-7)?

3-Chloro-5-nitro-1H-indazole is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also utilized in the polymer industry for the production of specific types of polymers, and in the sensor industry for developing gas sensors. Its electronic properties make it a potential candidate for use in semiconductors and optoelectronic devices.

What precautions should be taken when handling 3-Chloro-5-nitro-1H-indazole (CAS: 4812-45-7)?

When handling 3-Chloro-5-nitro-1H-indazole, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood due to its reactive nature. Spills should be cleaned up carefully using appropriate absorbents, and the area should be properly ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.

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