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Merck
CN

78752

Phenyl isocyanate

technical, ≥98.0% (GC)

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About This Item

Linear Formula:
C6H5NCO
CAS Number:
103-71-9
Molecular Weight:
119.12
EC Number:
203-137-6
UNSPSC Code:
12352100
PubChem Substance ID:
329768178
Beilstein/REAXYS Number:
471391
MDL number:
MFCD00001994

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

vapor pressure

1.4 mmHg ( 20 °C)

grade

technical

assay

≥98.0% (GC)

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.)

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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

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B H Kim et al.
Journal of chromatography. B, Biomedical sciences and applications, 752(1), 173-177 (2001-03-20)
A liquid chromatographic method for the determination of the aminoglycoside kanamycin in varicella vaccine is described. Kanamycin sulfate was derived with phenylisocyanate (PIC) and triethylamine for 10 min at 70 degrees C and chromatographed on a alkylamide-bonded column, Suplex pKb-100.
Maria Teresa Cocco et al.
Archiv der Pharmazie, 339(1), 7-13 (2006-01-18)
The regioselectivity of coupling phenyl isocyanate to 3-(2-acylhydrazino)-3-aminopropenenitriles and ethyl 3-(2-acylhydrazino)-3-aminopropenoates as simple access to aminopyrazole derivatives, endowed with potential antitumoral activity, is reported. 3-(2-Acylhydrazino)-3-aminopropenenitriles react with phenyl isocyanate to afford 3-amino-3-(2-acylhydrazino)-2-phenylaminocarbonyl-2-propenenitriles. These key intermediates were cyclized into 3,5-diaminopyrazole-4-carboxamide derivatives.
Charles E Lyons et al.
Analytical chemistry, 83(3), 856-865 (2011-01-05)
We have developed a complete system for the isotopic labeling, fractionation, and automated quantification of differentially expressed peptides that significantly facilitates candidate biomarker discovery. We describe a new stable mass tagging reagent pair, (12)C(6)- and (13)C(6)-phenyl isocyanate (PIC), that offers
L O Rosik et al.
Bioconjugate chemistry, 1(4), 251-256 (1990-07-01)
Daunorubicin (DNR) or doxorubicin (DOX) was modified with one of four "linker reagents" to produce electrophilic drug analogues for synthesis of bioconjugates. Synthesis and characterization of two new reagents [p-isothiocyanatobenzoyl chloride and 3-(p-isothiocyanatophenyl) propionyl chloride] are described here for the
Daniel E Mason et al.
Journal of proteome research, 2(3), 265-272 (2003-06-20)
Stable isotope tagging methods have enabled relative quantitation of proteins between samples in LC-MS/MS analyses. However, most such methods are not applicable to the differential quantitation of modified proteins because the isotope tagging reagents only react with certain peptides or
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