1,4-Phenylene diisocyanate

1,4-Phenylene diisocyanate Basic information
Product Name:1,4-Phenylene diisocyanate
Synonyms:isocyanicacid,p-phenyleneester;Phenylene-1,4-diisocyanate;p-Phenylene isocyanate;p-phenyleneisocyanate;FLURBIPROFEN USP24;p-phenyl diisocyanate;Para Phenylene Diisocyanate;1,4-Phenyldiisocyanate
CAS:104-49-4
MF:C8H4N2O2
MW:160.13
EINECS:203-207-6
Product Categories:Building Blocks;Chemical Synthesis;Nitrogen Compounds;Isocyanates;Nitrogen Compounds;Organic Building Blocks;Resin additives;Organic Building Blocks
Mol File:104-49-4.mol
1,4-Phenylene diisocyanate Structure
1,4-Phenylene diisocyanate Chemical Properties
Melting point 96-99 °C (lit.)
Boiling point 260 °C (lit.)
density 1.3848 (rough estimate)
vapor pressure <0.01 mm Hg ( 20 °C)
refractive index 1.4900 (estimate)
Fp >230 °F
solubility THF: soluble
form powder to crystal
color White to Light yellow
Water Solubility 130mg/L at 20℃
Stability:Stable. Combustible. Incompatible with strong oxidising agents, strong alkalies, strong acids, alcohols, amines. Moisture sensitive.
LogP3.19 at 20℃
CAS DataBase Reference104-49-4(CAS DataBase Reference)
NIST Chemistry ReferenceBenzene, 1,4-diisocyanato-(104-49-4)
EPA Substance Registry System1,4-Phenylene diisocyanate (104-49-4)
Safety Information
Hazard Codes Xn,C
Risk Statements 20/21/22-36/37/38-42-34-41-38
Safety Statements 22-26-36/37-45-36/37/39
RIDADR UN 2811 6.1/PG 3
WGK Germany 3
RTECS CZ6150000
HazardClass 6.1
PackingGroup III
HS Code 29291010
MSDS Information
ProviderLanguage
1,4-Phenylene diisocyanate English
SigmaAldrich English
1,4-Phenylene diisocyanate Usage And Synthesis
Chemical Propertieswhite to light yellow crystals
Uses1,4-Phenylene diisocyanate has been used:
  • as croos-linking reagent to investigate the mechanism of enzyme immobilization on silanized surfaces
  • in the synthesis of dipodal bis-urea receptor, a selective receptor for hydrogen sulfate
  • in deposition of polyurea resists films via molecular layer deposition
Synthesis Reference(s)Journal of Heterocyclic Chemistry, 7, p. 177, 1970 DOI: 10.1002/jhet.5570070126
General DescriptionWhite crystals or pale yellow chunky solid. Pungent odor.
Air & Water ReactionsReacts slowly with water to form CO2
Reactivity Profile1,4-Phenylene diisocyanate is sensitive to moisture. 1,4-Phenylene diisocyanate is incompatible with water, strong acids, strong alkalis, strong oxidizers, alcohol, amines and other hydrogen compounds.
Fire Hazard1,4-Phenylene diisocyanate is combustible.
Flammability and ExplosibilityNotclassified
1,4-Phenylene diisocyanate Preparation Products And Raw materials
Preparation Products1,1'-(p-phenylene)bis(urea)
TOLYLENE 2,5-DIISOCYANATE 2,4-dioxo-1,3-diazetidine-1,3-bis(3-methyl-p-phenylene) diisocyanate 5-(p-isocyanatobenzyl)-2-methyl-m-phenylene diisocyanate 4-[[p-(p-isocyanatobenzyl)phenyl]imino]-2-oxo-1,3-diazetidine-1,3-diylbis(p-phenylenemethylene-p-phenylene) diisocyanate (Hexafluoroisopropylidene)bis(4,1-phenylene)diisocyanate 2,4-dioxo-1,3-diazetidine-1,3-diylbis[p-phenylenemethylene-p-phenylene] diisocyanate (5-Methyl-1,3-phenylene)diisocyanate Oxybis(1,4-phenylene)diisocyanate 5-(p-isocyanatobenzyl)-6-methyl-m-phenylene diisocyanate 4-[(5-isocyanato-2-methylphenyl)methyl]-m-phenylene diisocyanate 2,4-dioxo-1,3-diazetidine-1,3-diylbis(p-phenylenemethylene-o-phenylene) diisocyanate 2,4-dioxo-1,3-diazetidine-1,3-bis(methyl-m-phenylene) diisocyanate 4-[(3-isocyanato-o-tolyl)methyl]-1,3-phenylene diisocyanate DIISOCYANATE 5-(o-isocyanatobenzyl)-6-methyl-m-phenylene diisocyanate 2-[(5-isocyanato-2-methylphenyl)methyl]-m-phenylene diisocyanate 2,4-dioxo-1,3-diazetidine-1,3-diylbis(p-phenylenethio-o-phenylene) diisocyanate 2-[(3-isocyanato-4-methylphenyl)methyl]-m-phenylene diisocyanate

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