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Merck
CN

78750

Phenyl isocyanate

derivatization grade (HPLC), LiChropur™, ≥99.0% (GC)

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About This Item

Linear Formula:
C6H5NCO
CAS Number:
103-71-9
Molecular Weight:
119.12
UNSPSC Code:
41115716
NACRES:
NA.22
PubChem Substance ID:
329768177
EC Number:
203-137-6
Beilstein/REAXYS Number:
471391
MDL number:
MFCD00001994
Assay:
≥99.0% (GC)
Form:
liquid

Key Documents

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InChI key

DGTNSSLYPYDJGL-UHFFFAOYSA-N

InChI

1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H

SMILES string

O=C=Nc1ccccc1

grade

derivatization grade (HPLC)

vapor pressure

1.4 mmHg ( 20 °C)

assay

≥99.0% (GC)

form

liquid

quality

LiChropur™

technique(s)

HPLC: suitable

refractive index

n20/D 1.535 (lit.), n20/D 1.536

bp

162-163 °C (lit.)

mp

−30 °C (lit.)

density

1.096 g/mL at 25 °C (lit.)

Quality Level

100

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General description

Phenyl isocyanate is an aromatic monoisocyanate which is a constituent of diphenyl methane diisocyanate. It is suitable to make aryl ureas with amine at room temperature making it unlikely to detect isocyanate formation using NMR. It reacts with amino acids in alkaline solution and with peptone.

Application

Phenyl isocyanate was used in preparing grapheme-polymer nanocomposites by mixing exfoliated phenyl isocyanate-treated graphite oxide sheets with polystyrene. It was used in studying its reaction of o-hydroxybenzyl alcohol in polar solvents with in situ FT-IR which showed that phenolic hydroxyl group reacts easily than aliphatic hydroxyl group.

Other Notes

Discover LiChropur reagents ideal for HPLC or LC-MS analysis
Reagent for the determination of alcohols and amines

Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

signalword

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Corr. 1C - Skin Sens. 1A - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

123.8 °F - closed cup

flash_point_c

51 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH3340
BCCF9536
BCBZ3617
BCBT5881

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The reaction of o-hydroxybenzyl alcohol with phenyl isocyanate in polar solvents.
De Han, Yong, et al.
Reaction Kinetics, Mechanisms and Catalysis, 101, 41-48 (2010)
Phenyl isocyanate protein compounds and their immunological properties.
S J Hopkins et al.
The Biochemical journal, 27(3), 740-753 (1933-01-01)
Graphene-based composite materials.
Stankovich, Sasha, et al.
Nature, 442, 282-286 (2006)
Marc Hutchby
Novel Synthetic Chemistry of Ureas and Amides, 62-62 (2012)
B. Bjorkqvist et al.
Journal of Chromatography A, 204, 109-109 (1981)
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