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Substance Name: 4-Iodopyrazole
RN: 3469-69-0
InChIKey: LLNQWPTUJJYTTE-UHFFFAOYSA-N

Molecular Formula

  • C3-H3-I-N2

Molecular Weight

  • 193.971
 
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Names and Synonyms

Name of Substance

  • 4-Iodopyrazole

Synonym

  • EINECS 222-434-1

Systematic Name

  • 4-Iodo-1H-pyrazole

Registry Numbers

CAS Registry Number

  • 3469-69-0

System Generated Number

  • 0003469690

Structure Descriptors

InChI

1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)

InChIKey

LLNQWPTUJJYTTE-UHFFFAOYSA-N

Smiles

n1[nH]cc(c1)I

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 108-110 deg C   EXP
log P (octanol-water) 1.7 (none)   EXP
Water Solubility 1660 mg/L 25 EST
Vapor Pressure 0.011 mm Hg 25 EST
Henry's Law Constant 8.56E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.37E-11 cm3/molecule-sec 25 EST

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