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Sigma-Aldrich

4-Acetylphenyl isocyanate

97%

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Linear Formula:
CH3COC6H4NCO
CAS Number:
49647-20-3
Molecular Weight:
161.16
MDL number:
MFCD00013879
UNSPSC Code:
12352100
PubChem Substance ID:
24867550
NACRES:
NA.22

Quality Level

100

Assay

97%

form

solid

bp

139 °C/14 mmHg (lit.)

mp

35-37 °C (lit.)

SMILES string

CC(=O)c1ccc(cc1)N=C=O

InChI

1S/C9H7NO2/c1-7(12)8-2-4-9(5-3-8)10-6-11/h2-5H,1H3

InChI key

MOZSVHZOUDIZMF-UHFFFAOYSA-N

Related Categories

General description

4-Acetylphenyl isocyanate is a reactive isocyanate and had one carbamate unit for every 7.6 graphene carbons.

Application

4-Acetylphenyl isocyanate may be used for the preparation of isocyanate-treated graphene oxide (iGO). It may be used for the following syntheses:
  • (4S,5R)-2-oxo-4-(4-phenyl-piperazin-1-ylmethyl)-oxazolidin-5-ylmethyl (4-acetyl-phenyl)-carbamate
  • (4S,5R)-2-oxo-4-(4-phenyl-piperazin-1-ylmethyl)-oxazolidin-5-ylmethyl (4-acetyl-phenyl)-carbamate
  • 2-oxo-4-(4-phenyl-piperazin-1-ylmethyl)-oxazolidin-5-ylmethyl phenyl acetate
  • 2-oxo-4-(4-phenyl-piperazin-1-ylmethyl)-oxazolidin-5-ylmethyl (4-acetyl-phenyl)-carbamate

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - 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

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Crina M Orac et al.
Journal of medicinal chemistry, 54(19), 6786-6795 (2011-08-05)
The enantiomers and the cis isomers of two previously studied 4,5-disubstituted oxazolidinones have been synthesized, and their binding to the T-box riboswitch antiterminator model RNA has been investigated in detail. Characterization of ligand affinities and binding site localization indicates that
Haiyang Zhao et al.
Physical chemistry chemical physics : PCCP, 15(23), 9084-9092 (2013-05-07)
In this paper, isocyanate-treated graphene oxide (iGO), which can be well dispersed in organic solvent, was prepared in a simple manner and showed excellent compatibility with polysulfone (PSF). iGO-PSF ultrafiltration membranes were prepared by the classical phase inversion method. The
Synthesis and exfoliation of isocyanate-treated graphene oxide nanoplatelets.
Stankovich S, et al.
Carbon, 44(15), 3342-3347 (2006)

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