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Substance Name: 1H-Pyrazole, 3-methyl-4-nitro-
RN: 5334-39-4
InChIKey: WTZYTQJELOHMMJ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C4-H5-N3-O2

Molecular Weight

  • 127.103
 
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Names and Synonyms

Synonym

  • 3-Methyl-4-nitro-1H-pyrazole

Systematic Name

  • 1H-Pyrazole, 3-methyl-4-nitro-

Registry Numbers

CAS Registry Number

  • 5334-39-4

System Generated Number

  • 0005334394

Structure Descriptors

InChI

1S/C4H5N3O2/c1-3-4(7(8)9)2-5-6-3/h2H,1H3,(H,5,6)

InChIKey

WTZYTQJELOHMMJ-UHFFFAOYSA-N

Smiles

c1([N+]([O-])=O)c([nH]nc1)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.02 (none)   EXP
Water Solubility 5170 mg/L 25 EST
Vapor Pressure 1.30E-03 mm Hg 25 EST
Henry's Law Constant 1.61E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.99E-12 cm3/molecule-sec 25 EST

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