258555

p-Phenylene diisothiocyanate

98%

• Synonym(s): 1,4-Diisothiocyanatobenzene, Bitoscanate, PDITC
• 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%

Properties

• Quality Segment: 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

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.

Safety Information

• pictograms: GHS06,GHS08
• signalword: Danger
• hcodes: H301,H315,H319,H334,H335
• pcodes: P261 - P264 - P271 - P301 + P310 - P302 + P352 - P305 + P351 + P338
• 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