4-Nitrophenyl isocyanate, 97%, Thermo Scientific Chemicals

Description

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 portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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.

Solubility
Insoluble in water.

Notes
Moisture Sensitive. Store at 2-8°C. Incompatible with water, heat and oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 100-28-7
• Molecular Formula: C7H4N2O3
• Molecular Weight (g/mol): 164.12
• MDL Number: MFCD00007306
• InChI Key: GFNKTLQTQSALEJ-UHFFFAOYSA-N
• Synonym: 4-nitrophenyl isocyanate, p-nitrophenyl isocyanate, benzene, 1-isocyanato-4-nitro, 4-nitrophenylisocyanate, p-nitrophenylisocyanate, isocyanic acid, p-nitrophenyl ester, 1-isocyanato-4-nitro-benzene, isocyanic acid 4-nitrophenyl ester, timtec-bb sbb006628, 4-nitrobenzenisocyanate
• PubChem CID: 66012
• IUPAC Name: 1-isocyanato-4-nitrobenzene
• SMILES: C1=CC(=CC=C1N=C=O)[N+](=O)[O-]

• Melting Point: 56°C to 59°C
• Boiling Point: 137°C to 138°C (11 mmHg)
• Flash Point: >110°C (230°F)
• Quantity: 5 g
• UN Number: UN3335
• Beilstein: 389516
• Sensitivity: Moisture sensitive
• Solubility Information: Insoluble in water.
• Formula Weight: 164.12
• Percent Purity: 97%
• Chemical Name or Material: 4-Nitrophenyl isocyanate

Safety and Handling

Hazard Category	H302+H332-H315-H319-H334-H335
Hazard Statement	GHS H Statement H331-H334-H302-H315-H319-H335 Toxic if inhaled. May cause allergy or asthma symptoms or breathing difficulties if inhaled. Harmful if swallowed. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P261-P264b-P270-P271-P280-P285-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P342+P311-P362-P501c
DOTInformation	Hazard Class: 9; Packaging Group: III
EINECSNumber	202-836-3
RTECSNumber	DA3692500
TSCA	Yes
Recommended Storage	Keep cold; Store under Nitrogen

SDS

RUO – Research Use Only