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262242

Sigma-Aldrich

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:
104-49-4
Molecular Weight:
160.13
EC Number:
203-207-6
MDL number:
MFCD00002025
UNSPSC Code:
12352100
PubChem Substance ID:
24855867
NACRES:
NA.22

vapor pressure

<0.01 mmHg ( 20 °C)

Quality Level

100

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

Related Categories

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.

Signal Word

Danger

Hazard Classifications

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

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

>235.4 °F - closed cup

Flash Point(C)

> 113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
WXBF3305V
WXBF2138V
WXBD9154V
WXBD5270V
WXBD5269V

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Mahbobeh Ghazagh Miri et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 205, 200-206 (2018-07-18)
A 3D urea-based porous organic polymer (Urea-POP) was prepared via the reaction of tetrakis(4-aminophenyl)methane and 1,4-Phenylene diisocyanate. The polymer was subsequently reacted with 2D layered nanosheets of graphene oxide (GO) to prepare Urea-POP/GO as a novel and highly efficient sorbent
Crisscross addition polymerization of alkyl aldazines and 1, 4-phenylene diisocyanate
Hashidzume A, et al.
Polymer, 50(10), 2246-2251 (2009)
Yipeng Sun et al.
Advanced materials (Deerfield Beach, Fla.), 31(4), e1806541-e1806541 (2018-12-06)
Metallic Li is considered as one of the most promising anode materials for next-generation batteries due to its high theoretical capacity and low electrochemical potential. However, its commercialization has been impeded by the severe safety issues associated with Li-dendrite growth.
Han Zhou et al.
ACS applied materials & interfaces, 3(2), 505-511 (2011-02-10)
Photoresist materials comprise one of the main challenges faced by lithography to meet the requirements of electronic device size scaling. Here we report for the first time the use of molecular layer deposition (MLD) to produce photoresist materials with controllable
Grafting of polyethylene glycols onto nanometer silica surface by 1, 4-phenylene diisocyanate
Zhang W and Lee Hong-Ro
Surface and Interface Analysis : SIA, 42(9), 1495-1498 (2010)
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