269425
4-Nitrophenyl isocyanate
97%
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About This Item
Linear Formula:
O2NC6H4NCO
CAS Number:
Molecular Weight:
164.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
202-836-3
Beilstein/REAXYS Number:
389516
MDL number:
Assay:
97%
Form:
solid
InChI key
GFNKTLQTQSALEJ-UHFFFAOYSA-N
InChI
1S/C7H4N2O3/c10-5-8-6-1-3-7(4-2-6)9(11)12/h1-4H
SMILES string
[O-][N+](=O)c1ccc(cc1)N=C=O
assay
97%
form
solid
bp
137-138 °C/11 mmHg (lit.)
storage temp.
2-8°C
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.
signalword
Danger
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
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Regulatory Information
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