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269425

4-Nitrophenyl isocyanate

Name: 4-Nitrophenyl isocyanate
Brand: ALDRICH

97%

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About This Item

Linear Formula:

O₂NC₆H₄NCO

CAS Number:

100-28-7

Molecular Weight:

164.12

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24856327

EC Number:

202-836-3

Beilstein/REAXYS Number:

389516

MDL number:

MFCD00007306

Assay:

97%

Form:

solid

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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.

pictograms

GHS08,GHS07

signalword

Danger

hcodes

H302 + H332,H315,H317,H319,H334,H335

pcodes

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

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

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