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4-Nitrophenyl isocyanate

4-Nitrophenyl isocyanate Basic information
Product Name:4-Nitrophenyl isocyanate
Synonyms:1-isocyanato-4-nitro-benzen;ai3-28253;benzene,1-isocyanato-4-nitro-;Isocyanic acid, p-nitrophenyl ester;(contains varying aMounts of polyMers);4-Nitrophenyl Isocyanate ;4-Nitrophenyl isocyanate, 98% 25GR;4-Nitrophenyl isocyanate, 98% 5GR
CAS:100-28-7
MF:C7H4N2O3
MW:164.12
EINECS:202-836-3
Product Categories:Isocyanates;Phenyls & Phenyl-Het;Phenyls & Phenyl-Het;Nitrogen Compounds;Organic Building Blocks;Carbohydrates & Derivatives
Mol File:100-28-7.mol
4-Nitrophenyl isocyanate Structure
4-Nitrophenyl isocyanate Chemical Properties
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 Reference100-28-7(CAS DataBase Reference)
NIST Chemistry ReferenceBenzene, 1-isocyanato-4-nitro-(100-28-7)
EPA Substance Registry Systemp-Nitrophenyl isocyanate (100-28-7)
Safety Information
Hazard Codes Xn
Risk Statements 20/21/22-36/37/38-42
Safety Statements 22-26-36/37/39-45
RIDADR 2206
WGK Germany 3
RTECS DA3692500
F 10-19-21
TSCA Yes
HazardClass 6.1(b)
PackingGroup III
HS Code 29291090
ToxicityLD50 orl-rat: 1600 mg/kg NTIS** OTS0528342
MSDS Information
ProviderLanguage
4-Nitrophenyl isocyanate English
SigmaAldrich English
ACROS English
ALFA English
4-Nitrophenyl isocyanate Usage And Synthesis
Chemical Propertiesyellow crystalline solid
Uses4-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 ProfileA poison by intraperitoneal route.Moderately toxic by ingestion. When heated todecomposition it emits toxic vapors of NOx.
Purification MethodsDistil 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.]
4-Nitrophenyl isocyanate Preparation Products And Raw materials
Raw materialsHydrochloric acid-->4-Nitroaniline
5-METHYL-2-NITROPHENYL ISOCYANATE 2,3-DIMETHYL-6-NITROPHENYL ISOCYANATE Benzyl isocyanate 2-METHOXY-4-NITROPHENYL ISOCYANATE 5-CHLORO-2-NITROPHENYL ISOCYANATE 4,5-DIMETHYL-2-NITROPHENYL ISOCYANATE,4,5-DIMETHYL-2-NITROPHENYL ISOCYANATE, 9 7%,4,5-DIMETHYL-2-NITROPHENYL ISOCYANATE 97% 4-Nitrobenzoic Acid Isooctyl Ester 4-METHYL-2-NITROPHENYL ISOCYANATE 4-ETHOXY-2-NITROPHENYL ISOCYANATE 2-FLUORO-5-NITROPHENYL ISOCYANATE ISOCYANATE 2,3-DIMETHYL-6-NITROPHENYL ISOCYANATE, 9 7% 4-NITRO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE 2-METHYL-6-NITROPHENYL ISOCYANATE 4-ISOCYANATO-2-METHYL-1-NITROBENZENE Nitrophenyl Hexyl isocyanate 4-Fluoro-5-nitrophenyl isocyanate,4-FLUORO-3-NITROPHENYL ISOCYANATE 98%,4-FLUORO-3-NITROPHENYL ISOCYANATE
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