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Merck
CN

258555

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
UNSPSC Code:
12352200
NACRES:
NA.22
PubChem Substance ID:
24855647
EC Number:
223-741-3
Beilstein/REAXYS Number:
2414340
MDL number:
MFCD00004811
Assay:
98%

Key Documents

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InChI key

OMWQUXGVXQELIX-UHFFFAOYSA-N

InChI

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

SMILES string

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

assay

98%

reaction suitability

reagent type: cross-linking reagent

Quality Level

200

mp

129-131 °C (lit.)

Related Categories

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

Storage Class

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

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB5193
STBL3523
STBK6184
STBJ7786
STBJ3479

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Chengwei Li et al.
Nanoscale research letters, 15(1), 36-36 (2020-02-08)
Construct dielectric films with high energy density and efficiency are the key factor to fabricate high-performance dielectric film capacitors. In this paper, an all organic composite film was constructed based on high dielectric polymer and linear dielectric polymer. After the
A New Synthesis Of 4-Isothiocyanato-4'-Nitrodiphenylamine (Amoscanate).
Viswanathan N and Desai RC.
Indian J. Chem. B, 20(4), 308-310 (1981)
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
Rational design and synthesis of polythioureas as capacitor dielectrics.
Ma R, et al.
Journal of Material Chemistry A, 3(28), 14845-14852 (2015)
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)
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