475939
3-Iodophenyl isothiocyanate
97%
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About This Item
Linear Formula:
IC6H4NCS
CAS Number:
Molecular Weight:
261.08
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Product Name
3-Iodophenyl isothiocyanate, 97%
InChI
1S/C7H4INS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
SMILES string
Ic1cccc(c1)N=C=S
InChI key
LKCSXVAACHUTGC-UHFFFAOYSA-N
assay
97%
mp
45-48 °C (lit.)
Application
3-Iodophenyl isothiocyanate may be used for the synthesis of radiopharmaceutical compounds.
General description
3-Iodophenyl isothiocyanate, also referred as m-iodophenyl isothiocyanate, is an isothiocyanate derivative. Its density at 25°C is 1.8000g/cm3.
signalword
Danger
hcodes
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
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Regulatory Information
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Yalkowsky SH.
Handbook of Aqueous Solubility Data, 346-346 (2003)
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
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
Yaws CL.
The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals, 138-138 (2015)
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