CAS 100-28-7

4-Nitrophenyl isocyanate

Description:

4-Nitrophenyl isocyanate is an organic compound characterized by its isocyanate functional group attached to a nitrophenyl moiety. It typically appears as a yellow crystalline solid and is known for its reactivity, particularly in nucleophilic addition reactions due to the presence of the isocyanate group. This compound is soluble in organic solvents such as acetone and ether but is generally insoluble in water. It has applications in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals. The presence of the nitro group enhances its electrophilic character, making it useful in coupling reactions. However, it is important to handle 4-nitrophenyl isocyanate with care, as it can be toxic and irritant, posing health risks upon exposure. Proper safety measures, including the use of personal protective equipment and working in a well-ventilated area, are essential when working with this compound.

Formula: C₇H₄N₂O₃

InChI: InChI=1S/C7H4N2O3/c10-5-8-6-1-3-7(4-2-6)9(11)12/h1-4H

InChI key: InChIKey=GFNKTLQTQSALEJ-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=CC=C(N=C=O)C=C1

Synonyms:

• 1-Isocyanato-4-Nitrobenzene
• 1-Nitro-4-isocyanatobenzene
• Benzene, 1-isocyanato-4-nitro-
• Isocyanic acid, p-nitrophenyl ester
• NSC 9800
• p-Nitrophenyl isocyanate
• 4-Nitrophenyl isocyanate

4-Nitrophenyl Isocyanate (contains varying amounts of polymers)

CAS: 100-28-7

Formula: C₇H₄N₂O₃

Purity: >98.0%(GC)

Color and Shape: White to Yellow to Green powder to crystal

Molecular weight: 164.12

Ref: 3B-I0129

4-Nitrophenyl isocyanate, 97%

CAS: 100-28-7

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. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product

Formula: C₇H₄N₂O₃

Purity: 97%

Color and Shape: Crystals or powder or crystalline powder or fused solid, Yellow

Molecular weight: 164.12

Ref: 02-A11194

4-Nitrophenyl isocyanate

CAS: 100-28-7

Formula: C₇H₄N₂O₃

Purity: 98.0%

Color and Shape: Solid

Molecular weight: 164.12

Ref: 10-F046961

4-Nitrophenyl isocyanate

CAS: 100-28-7

4-Nitrophenyl isocyanate

Purity: ≥95%

Molecular weight: 164.12g/mol

Ref: 54-OR11229

4-Nitrophenyl isocyanate

CAS: 100-28-7

4-Nitrophenyl isocyanate (4NPC) is an alkynyl group that reacts with nitrite ion to form the reactive intermediate 4-nitrophenyl isocyanate ion. This reaction can be used to synthesize fatty acids by reacting with carbonyl groups. The activation energies for this reaction are dependent on the type of amines and fatty acid used. Analytical chemistry can be used to determine the analytical method for determining the concentration of nitrite ions in a solution containing 4NPC and hydrogen fluoride.

Formula: C₇H₄N₂O₃

Purity: Min. 96.5 Area-%

Color and Shape: Powder

Molecular weight: 164.12 g/mol

Ref: 3D-FN07842

4-​Nitrophenyl Isocyanate (1-Isocyanato-4-nitrobenzene)

Controlled Product

CAS: 100-28-7

Applications 1-Isocyanato-4-nitrobenzene is a useful synthetic intermediate. It can be used as a reactant in the synthesis of potent human NK1 tachykinin receptor antagonist. It can also be used to prepare N-{2-[(7-chloroquinolin-4-yl)amino]ethyl}ureas with antiprotozoal and antimycobacterial activities.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Walpole, C., et al.: J. Med. Chem., 41, 3159 (1998); Nava-Zuazo, C., et al.: Bioorg. Med. Chem., 18, 6398 (2010)

Formula: C₇H₄N₂O₃

Color and Shape: Neat

Molecular weight: 164.12

Ref: TR-I798270