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Merck
CN

262242

1,4-Phenylene diisocyanate

Synonym(s):

1,4-Diisocyanatobenzene, p-Phenylene diisocyanate

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About This Item

Linear Formula:
C6H4(NCO)2
CAS Number:
Molecular Weight:
160.13
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
203-207-6
MDL number:
Form:
solid
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Quality Segment

vapor pressure

<0.01 mmHg ( 20 °C)

form

solid

bp

260 °C (lit.)

mp

96-99 °C (lit.)

solubility

THF: soluble, acetone: soluble, ethyl acetate: soluble, toluene: soluble

functional group

isocyanate

SMILES string

O=C=Nc1ccc(cc1)N=C=O

InChI

1S/C8H4N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H

InChI key

ALQLPWJFHRMHIU-UHFFFAOYSA-N

Application

1,4-Phenylene diisocyanate (PPDI) can be used as:
  • A reactant to synthesize high yield polymers via criss-cross addition polymerization reaction with alkyl aldazines in pyridine.
  • An organic building block to prepare adamantyl-containing diurea and thiourea derivatives applicable as potent mammalian and human soluble epoxide hydrolase inhibitors.
  • A coupling agent to synthesize polyethylene glycol (PEG)/silica composite material using dibutyltin dilaurate (DBTDL) as a catalyst.

It can also be used:
  • As a cross-linking reagent to investigate the mechanism of enzyme immobilization on silanized surfaces.
  • In the synthesis of the dipodal bis-urea receptor, a selective receptor for hydrogen sulfate.
  • In the deposition of polyurea resists films via molecular layer deposition.



signalword

Danger

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

flash_point_f

>235.4 °F - closed cup

flash_point_c

> 113 °C - closed cup

ppe

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

target_organs

Respiratory system

Hazard Classifications

Acute Tox. 2 Inhalation - Aquatic Chronic 2 - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

wgk

WGK 2



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