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Substance Name: 1H-Indazole
RN: 271-44-3
UNII: 7C4VQE5C03
InChIKey: BAXOFTOLAUCFNW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H6-N2

Molecular Weight

  • 118.138
 
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Names and Synonyms

Name of Substance

  • 1H-Indazole

Synonyms

  • 1,2-Diazaindene
  • 1,2-Diazaindene (VAN)
  • 1H-Benzopyrazole
  • 2-Azaindole
  • EINECS 205-978-4
  • Indazole
  • Isoindazole
  • NSC 26336
  • UNII-7C4VQE5C03

Systematic Names

  • 1H-Indazole
  • Indazole

Registry Numbers

CAS Registry Number

  • 271-44-3

FDA UNII

  • 7C4VQE5C03

System Generated Number

  • 0000271443

Structure Descriptors

InChI

1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)

InChIKey

BAXOFTOLAUCFNW-UHFFFAOYSA-N

Smiles

c12c([nH]nc1)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 440mg/kg (440mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 480, 1963.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 148 deg C   EXP
Boiling Point 269 deg C   EXP
log P (octanol-water) 1.77 (none)   EXP
Water Solubility 826 mg/L 20 EXP
Vapor Pressure 1.48E-03 mm Hg 25 EST
Henry's Law Constant 3.60E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.60E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.