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258555

Sigma-Aldrich

p-Phenylene diisothiocyanate

98%

Synonym(s):

1,4-Diisothiocyanatobenzene, Bitoscanate, PDITC

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About This Item

Linear Formula:
C6H4(NCS)2
CAS Number:
4044-65-9
Molecular Weight:
192.26
Beilstein:
2414340
EC Number:
223-741-3
MDL number:
MFCD00004811
UNSPSC Code:
12352200
PubChem Substance ID:
24855647
NACRES:
NA.22

Assay

98%

reaction suitability

reagent type: cross-linking reagent

mp

129-131 °C (lit.)

SMILES string

S=C=Nc1ccc(cc1)N=C=S

InChI

1S/C8H4N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H

InChI key

OMWQUXGVXQELIX-UHFFFAOYSA-N

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Application

p-Phenylene diisothiocyanate can be used in various applications including the following:
  • Synthesis of hydroxamate containing chelators for labeling antibodies with 89Zr and 68Ga for imaging with positron emission tomography (immunoPET).
  • Synthesis of fluorescent chemosensors for Hg2+ sensing in living cells.
  • Synthesis of polythiourea derivatives as capacitor dielectric materials.
  • Synthesis of 4-isothiocyanato-4′-nitrodiphenylamine, an anthelmintic agent, popularly known as amoscanate.

Pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

Signal Word

Danger

Hazard Statements

H301,H315,H319,H334,H335

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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A ratiometric fluorescent chemosensor for Hg2+ based on FRET and its application in living cells.
Wang C, et al.
Sensors and Actuators B, Chemical, 198, 33-40 (2014)
Haya Abdulkarim et al.
Scientific reports, 10(1), 10424-10424 (2020-06-28)
Lenalidomide is an immunomodulatory drug (IMiD) used to treat multiple myeloma (MM) patients. Lenalidomide destroys MM cells by inducing ubiquitination and the consequent degradation of Ikaros family zinc finger proteins 1 and 3 (IKZF1 and IKZF3). High expression of IKZF1
Liang Liu et al.
Scientific reports, 7(1), 5669-5669 (2017-07-20)
MicroRNAs (miRNAs) play a vital role in regulating gene expression and are associated with a variety of cancers, including breast cancer. Their distorted and unique expression is a potential marker in clinical diagnoses and prognoses. Thus, accurate determination of miRNA
Multifunctional Desferrichrome Analogues as Versatile 89Zr (IV) Chelators for ImmunoPET Probe Development.
Adams CJ et al.
Molecular Pharmaceutics, 14(8), 2831-2842 (2017)
Design, synthesis and evaluation of novel bifunctional tetrahydroxamate chelators for PET imaging of 89Zr-labeled antibodies.
Rousseau J, et al.
Bioorganic & Medicinal Chemistry, 27(4), 708-712 (2018)
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