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78750

Supelco

Phenyl isocyanate

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

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Linear Formula:
C6H5NCO
CAS Number:
103-71-9
Molecular Weight:
119.12
Beilstein:
471391
EC Number:
203-137-6
MDL number:
MFCD00001994
UNSPSC Code:
12000000
PubChem Substance ID:
329768177
NACRES:
NA.22

grade

for HPLC derivatization

Quality Level

100

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.)

SMILES string

O=C=Nc1ccccc1

InChI

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

InChI key

DGTNSSLYPYDJGL-UHFFFAOYSA-N

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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

Reagent for the determination of alcohols and amines

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Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Signal Word

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

WGK

WGK 2

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Marc Hutchby
Novel Synthetic Chemistry of Ureas and Amides, 62-62 (2012)
Graphene-based composite materials.
Stankovich, Sasha, et al.
Nature, 442, 282-286 (2006)
Phenyl isocyanate protein compounds and their immunological properties.
S J Hopkins et al.
The Biochemical journal, 27(3), 740-753 (1933-01-01)
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)
B. Bjorkqvist et al.
Journal of Chromatography A, 204, 109-109 (1981)
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Protocols

HPLC Analysis of Isocyanates on Titan™ C18

HPLC Analysis of Isocyanates on Titan™ C18

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