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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

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

EU REACH Annex XVII (Restriction List)

CAS No.

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
Synthesis of adamantyl-containing 1, 3-disubstituted diureas and thioureas, efficient targeted inhibitors of human soluble epoxide hydrolase
Butov GM, et al.
Russian Chemical Bulletin, 64(7), 1569-1575 (2015)
S K Dogan et al.
Journal of the mechanical behavior of biomedical materials, 71, 349-361 (2017-04-14)
Poly(lactic acid) (PLA)/thermoplastic polyurethane (TPU) blends were melt-mixed and compatibilized to investigate their biocompatibility, biodegradability and thermally induced shape memory properties. The blend compositions were PLA/TPU: 80/20 (20TPU) and PLA/TPU: 50/50 (50TPU). 1,4-phenylene diisocyanate (PDI) was used in order to
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.
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
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