269425

4-Nitrophenyl isocyanate

97%

• Linear Formula: O₂NC₆H₄NCO
• CAS Number: 100-28-7
• Molecular Weight: 164.12
• Beilstein: 389516
• EC Number: 202-836-3
• MDL number: MFCD00007306
• UNSPSC Code: 12352100
• PubChem Substance ID: 24856327
• NACRES: NA.22

Properties

• Assay: 97%
• form: solid
• bp: 137-138 °C/11 mmHg (lit.)
• mp: 56-59 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: [O-][N+](=O)c1ccc(cc1)N=C=O
• InChI: 1S/C7H4N2O3/c10-5-8-6-1-3-7(4-2-6)9(11)12/h1-4H
• InChI key: GFNKTLQTQSALEJ-UHFFFAOYSA-N

Description

Application

4-Nitrophenyl isocyanate can be used as a reactant to synthesize:

• 4-aminophenyl carbamic acid methyl ester by Raney nickel catalyzed hydrogenation in methanol-DCM solvent system.
• Urea-functionalized derivatives with p-nitrobenzene units by reacting with 1,2-bis(2′-aminophenoxy) benzene.
• 2-(5-methyl-3,4-diphenyl-1H-pyrrole-2-carbonyl)-N-(4-nitrophenyl)hydrazinecarboxamide by treating with 5-methyl-3,4-diphenyl-1H-pyrrole-2-carbohydrazide.

Safety Information

• Pictograms: GHS08,GHS07
• Signal Word: Danger
• Hazard Statements: H302 + H332,H315,H317,H319,H334,H335
• Precautionary Statements: P261 - P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves