ChemicalBook--->CAS DataBase List--->104-49-4

104-49-4

104-49-4 Structure

104-49-4 Structure
IdentificationMore
[Name]

1,4-Phenylene diisocyanate
[CAS]

104-49-4
[Synonyms]

1,4-PHENYLENE DIISOCYANATE
3-fluoro-4-phenylhydratropic acid
BENZENE 1,4-DIISOCYANATE
PPDI
P-PHENYLENE DIISOCYANATE
1,4-Benzenediisocyanate
1,4-diisocyanato-benzen
1,4-Diisocyanatobenzene
1,4-diisocyanato-Benzene
benzene,1,4-diisocyanato-
Isocyanic acid, p-phenylene ester
isocyanicacid,p-phenyleneester
Phenylene-1,4-diisocyanate
p-Phenylene isocyanate
p-phenyleneisocyanate
FLURBIPROFEN USP24
p-phenyl diisocyanate
Para Phenylene Diisocyanate
1,4-Phenyldiisocyanate
p-phenyl diisocyanate (PPDI)
[EINECS(EC#)]

203-207-6
[Molecular Formula]

C8H4N2O2
[MDL Number]

MFCD00002025
[Molecular Weight]

160.13
[MOL File]

104-49-4.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystals
[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
[Stability:]

Stable. Combustible. Incompatible with strong oxidising agents, strong alkalies, strong acids, alcohols, amines. Moisture sensitive.
[Water Solubility ]

130mg/L at 20℃
[LogP]

3.19 at 20℃
[CAS DataBase Reference]

104-49-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1,4-diisocyanato-(104-49-4)
[EPA Substance Registry System]

104-49-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R42:May cause sensitization by inhalation.
[Safety Statements ]

S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

CZ6150000
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29291010
Hazard InformationBack Directory
[General Description]

White crystals or pale yellow chunky solid. Pungent odor.
[Reactivity Profile]

1,4-PHENYLENE DIISOCYANATE(104-49-4) is sensitive to moisture. This chemical is incompatible with water, strong acids, strong alkalis, strong oxidizers, alcohol, amines and other hydrogen compounds.
[Air & Water Reactions]

Reacts slowly with water to form CO2
[Fire Hazard]

This chemical is combustible.
[Chemical Properties]

white to light yellow crystals
[Uses]

1,4-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
[Flammability and Explosibility]

Notclassified
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,4-Phenylene diisocyanate(104-49-4).msds
Spectrum DetailBack Directory
[Spectrum Detail]

1,4-Phenylene diisocyanate(104-49-4)MS
1,4-Phenylene diisocyanate(104-49-4)1HNMR
1,4-Phenylene diisocyanate(104-49-4)13CNMR
1,4-Phenylene diisocyanate(104-49-4)IR1
1,4-Phenylene diisocyanate(104-49-4)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

104-49-4(sigmaaldrich)
[TCI AMERICA]

1,4-Phenylene Diisocyanate,>98.0%(GC)(104-49-4)
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