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4-Nitrophenyl isocyanate

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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
10-19-21
TSCA 
Yes
HazardClass 
6.1(b)
PackingGroup 
III
HS Code 
29291090
Toxicity
LD50 orl-rat: 1600 mg/kg NTIS** OTS0528342

MSDS

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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.]

4-Nitrophenyl isocyanate Preparation Products And Raw materials

Raw materials

4-Nitrophenyl isocyanateSupplier

Fuxin Pharmaceutical
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Shanghai Baoyang Baoxin Biotechnology Co., LTD
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