4-Nitrophenyl isocyanate CAS#: 100-28-7

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4-Nitrophenyl isocyanate

Basic information Safety Supplier Related

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

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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)
Flash point:: >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: p-Nitrophenyl isocyanate (100-28-7)

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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
Toxicity: LD50 orl-rat: 1600 mg/kg NTIS** OTS0528342

MSDS

Language:English Provider:4-Nitrophenyl isocyanate
Language:English Provider:SigmaAldrich
Language:English Provider:ACROS
Language:English Provider:ALFA

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4-Nitrophenyl isocyanate Usage And Synthesis

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.]