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475939

Sigma-Aldrich

3-Iodophenyl isothiocyanate

97%

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About This Item

Linear Formula:
IC6H4NCS
CAS Number:
3125-73-3
Molecular Weight:
261.08
MDL number:
MFCD00041074
UNSPSC Code:
12352100
PubChem Substance ID:
24871187

assay

97%

mp

45-48 °C (lit.)

SMILES string

Ic1cccc(c1)N=C=S

InChI

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

InChI key

LKCSXVAACHUTGC-UHFFFAOYSA-N

General description

3-Iodophenyl isothiocyanate, also referred as m-iodophenyl isothiocyanate,[1] is an isothiocyanate derivative. Its density at 25°C is 1.8000g/cm3.[2]

Application

3-Iodophenyl isothiocyanate may be used for the synthesis of radiopharmaceutical compounds.[3]

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Aquatic Chronic 4 - Eye Irrit. 2 - Skin Sens. 1

Storage Class

6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBG7901
STBF6219V
STBF5474V
STBF3987V
STBB4722V

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Braddock M and Rotella D.
Biomedical Imaging: The Chemistry of Labels, Probes and Contrast Agents, 159-159 (2011)
S Ram et al.
Cancer, 73(3 Suppl), 808-815 (1994-02-01)
The development of a metabolically stable radioiodination reagent for coupling to monoclonal antibodies is a desirable goal. The radioiodination of monoclonal antibodies D612 and 17-1A reactive with human colon cancer with 3-iodophenylisothiocyanate has been investigated. This new ligand, on coupling
S Ram et al.
International journal of radiation applications and instrumentation. Part A, Applied radiation and isotopes, 43(11), 1387-1391 (1992-11-01)
A new radioiodination reagent, 3-iodophenylisothiocyanate (3-IPI) has been developed for coupling to monoclonal antibodies. The starting material, 3-tri-n-butylstannylphenylisothiocyanate was prepared via a reaction of hexabutylditin with 3-bromoaniline, followed by treatment with thiophosgene with an overall yield of 72%. The radioiodination
Yalkowsky SH.
Handbook of Aqueous Solubility Data, 346-346 (2003)
Yaws CL.
The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals, 138-138 (2015)
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