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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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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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