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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
eCl@ss:
27150601
Assay:
≥99.0% (GC)
Form:
liquid
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grade

derivatization grade (HPLC)

Quality Segment

vapor pressure

1.4 mmHg ( 20 °C)

assay

≥99.0% (GC)

form

liquid

quality

LiChropur™

technique(s)

HPLC: suitable, LC/MS: suitable, ion chromatography: 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

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
Discover LiChropur reagents ideal for HPLC or LC-MS analysis

Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

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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

Storage Class

3 - Flammable liquids

Flash Point (°F)

123.8 °F - closed cup

Flash Point (°C)

51 °C - closed cup

PPE (personal protective equipment)

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

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