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Substance Name: 4-Iodophenylisothiocyanate
RN: 2059-76-9
InChIKey: SNLGBRZZFRSXHA-UHFFFAOYSA-N

Note

  • Used for labeling spectrin in erythrocytes with 125I.

Molecular Formula

  • C7-H4-I-N-S

Molecular Weight

  • 261.082
 
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Names and Synonyms

Name of Substance

  • 4-Iodophenylisothiocyanate

Synonyms

  • 4-Ipitc
  • NSC 129262

Systematic Name

  • Benzene, 1-iodo-4-isothiocyanato-

Registry Numbers

CAS Registry Number

  • 2059-76-9

System Generated Number

  • 0002059769

Structure Descriptors

InChI

1S/C7H4INS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

InChIKey

SNLGBRZZFRSXHA-UHFFFAOYSA-N

Smiles

c1c(I)ccc(N=C=S)c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.22 (none)   EXP
Water Solubility 5.110 mg/L 25 EST
Vapor Pressure 8.28E-04 mm Hg 25 EST
Henry's Law Constant 1.81E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.41E-12 cm3/molecule-sec 25 EST

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