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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/REAXYS Number:
2414340
EC Number:
223-741-3
MDL number:
MFCD00004811
UNSPSC Code:
12352200
PubChem Substance ID:
24855647
NACRES:
NA.22

Quality Level

200

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

signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, 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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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)
A New Synthesis Of 4-Isothiocyanato-4'-Nitrodiphenylamine (Amoscanate).
Viswanathan N and Desai RC.
Indian J. Chem. B, 20(4), 308-310 (1981)
New tris(hydroxypyridinone) bifunctional chelators containing isothiocyanate groups provide a versatile platform for rapid one-step labeling and PET imaging with 68Ga3+.
Ma MT, et al.
Bioconjugate Chemistry, 27(2), 309-318 (2015)
Rational design and synthesis of polythioureas as capacitor dielectrics.
Ma R, et al.
Journal of Material Chemistry A, 3(28), 14845-14852 (2015)
Daniel Ramos-Sono et al.
PloS one, 15(10), e0241067-e0241067 (2020-10-29)
Tuberculosis (TB) is a major global public health problem with high mortality and morbidity. In low-middle income countries (LMIC) a large number of respiratory symptomatic cases that require TB screening per year demands more accurate, fast and affordable testing for
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