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About This Item
Linear Formula:
O2NC6H4NCO
CAS Number:
Molecular Weight:
164.12
Beilstein:
389516
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
form:
solid
Assay:
97%
Pricing and availability is not currently available.
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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
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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.[1]
- Urea-functionalized derivatives with p-nitrobenzene units by reacting with 1,2-bis(2′-aminophenoxy) benzene.[2]
- 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.[3]
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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