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258555 Sigma-Aldrich

p-Phenylene diisothiocyanate

98%

Synonym: 1,4-Diisothiocyanatobenzene, Bitoscanate, PDITC

  • CAS Number 4044-65-9

  • Linear Formula C6H4(NCS)2

  • Molecular Weight 192.26

  •  Beilstein/REAXYS Number 2414340

  •  EC Number 223-741-3

  •  MDL number MFCD00004811

  •  PubChem Substance ID 24855647

  •  NACRES NA.22

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Properties

Related Categories Amine to Amine, Chemical Biology, Chemical Synthesis, Crosslinkers, Linkers and Crosslinkers,
Quality Level   200
assay   98%
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

Description

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.

Packaging

1, 5 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Target organs 
Respiratory system
Personal Protective Equipment 
RIDADR 
UN 2811 6.1 / PGIII
WGK Germany 
WGK 3
RTECS 
NX9150000
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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