Identification	More
[Name] 4-Nitrophenyl isocyanate
[CAS] 100-28-7
[Synonyms] 1-ISOCYANATO-4-NITRO-BENZENE 4-Nitrophenylcarbimide 4-NITROPHENYL ISOCYANATE ISOCYANIC ACID 4-NITROPHENYL ESTER P-NITROPHENYL ISOCYANATE TIMTEC-BB SBB006628 1-isocyanato-4-nitro-benzen ai3-28253 benzene,1-isocyanato-4-nitro- Isocyanic acid, p-nitrophenyl ester isocyanicacid,p-nitrophenylester 4-Nitrophenyl PARA-NITROPHENYLISOCYANATE 4-Isocyanatonitrobenzene 4-Nitrophenyl Isocyanate (contains varying amounts of polymers)
[EINECS(EC#)] 202-836-3
[Molecular Formula] C7H4N2O3
[MDL Number] MFCD00007306
[Molecular Weight] 164.12
[MOL File] 100-28-7.mol

Chemical Properties	Back Directory
[Appearance] yellow crystalline solid
[Melting point ] 56-59 °C(lit.)
[Boiling point ] 137-138 °C11 mm Hg(lit.)
[density ] 1.5018 (rough estimate)
[refractive index ] 1.5300 (estimate)
[Fp ] >110°C
[storage temp. ] 2-8°C
[solubility ] soluble in Benzene,Toluene
[form ] Crystalline Solid
[color ] Yellow
[Water Solubility ] Insoluble in water.
[Sensitive ] Moisture Sensitive
[BRN ] 389516
[CAS DataBase Reference] 100-28-7(CAS DataBase Reference)
[NIST Chemistry Reference] Benzene, 1-isocyanato-4-nitro-(100-28-7)
[EPA Substance Registry System] 100-28-7(EPA Substance)

Safety Data	Back 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 . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ] 2206
[WGK Germany ] 3
[RTECS ] DA3692500
[F ] 10-19-21
[TSCA ] Yes
[HazardClass ] 6.1(b)
[PackingGroup ] III
[HS Code ] 29291090
[Toxicity] LD50 orl-rat: 1600 mg/kg NTIS** OTS0528342

Raw materials And Preparation Products	Back Directory
[Raw materials] Hydrochloric acid-->4-Nitroaniline

Material Safety Data Sheet(MSDS)	Back Directory
[msds information] 4-Nitrophenyl isocyanate(100-28-7).msds

Hazard Information	Back Directory
[Chemical Properties] yellow crystalline solid
[Uses] 4-Nitrophenyl isocyanate is used as pharmaceutical intermediates. 4-Nitrophenyl isocyanate was used in the synthesis of 2-(5-methyl-3,4-diphenyl-1H-pyrrole-2-carbonyl)-N-(4-nitrophenyl)hydrazinecarboxamide.
[Safety Profile] A poison by intraperitoneal route.Moderately toxic by ingestion. When heated todecomposition it emits toxic vapors of NOx.
[Purification Methods] Distil the isocyanate in a vacuum, and/or recrystallise it from pet ether (b 28-38o), *C6H6/pet ether (m 58o) or CCl4 (m 56-57o). [Beilstein 12 H 725, 12 III 1630.]

Spectrum Detail	Back Directory
[Spectrum Detail] 4-Nitrophenyl isocyanate(100-28-7)IR1 4-Nitrophenyl isocyanate(100-28-7)IR2 4-Nitrophenyl isocyanate(100-28-7)Raman

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] 4-Nitrophenyl isocyanate, 98%(100-28-7)
[Alfa Aesar] 4-Nitrophenyl isocyanate, 97%(100-28-7)
[Sigma Aldrich] 100-28-7(sigmaaldrich)
[TCI AMERICA] 4-Nitrophenyl Isocyanate (contains varying amounts of polymers),>98.0%(GC)(100-28-7)

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