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Merck
CN

P26759

Phenyl isocyanate

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About This Item

Linear Formula:
C6H5NCO
CAS Number:
103-71-9
Molecular Weight:
119.12
EC Number:
203-137-6
PubChem Substance ID:
329820148
MDL number:
MFCD00001994
Beilstein/REAXYS Number:
471391

Key Documents

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InChI

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

InChI key

DGTNSSLYPYDJGL-UHFFFAOYSA-N

SMILES string

O=C=Nc1ccccc1

vapor pressure

1.4 mmHg ( 20 °C)

refractive index

n20/D 1.535 (lit.)

bp

162-163 °C (lit.)

mp

−30 °C (lit.)

density

1.096 g/mL at 25 °C (lit.)

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signalword

Danger

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

flash_point_f

123.8 °F - closed cup

flash_point_c

51 °C - closed cup

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

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Certificates of Analysis (COA)

Lot/Batch Number
04008DY
02925KZ
02221BY

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H Tinnerberg et al.
Journal of occupational and environmental hygiene, 5(10), 629-632 (2008-07-31)
There are few studies on phenylisocyanate (PhI) exposure, although there are studies indicating that PhI is a very potent chemical sensitizer. The aim of this study was to evaluate aniline in urine and plasma as possible biomarkers of exposure to
R I Hollingsworth et al.
The Journal of biological chemistry, 264(16), 9300-9303 (1989-06-05)
A new hydroxylated, very long-chain fatty acid has been isolated and characterized from the lipopolysaccharide (LPS) of Rhizobium trifolii ANU 843. The lipid A of the organism was degraded by mild alkali and borohydride and the products methylated, peracetylated, and
M H Karol et al.
Toxicology letters, 89(2), 139-146 (1996-12-16)
Diisocyanates, as a chemical class, are recognized for their ability to cause respiratory and dermal sensitization. By contrast, monofunctional isocyanates have not been associated with cases of clinical sensitization. We investigated the immunologic activity of phenyl isocyanate (PI), an aromatic
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
Vivian W Y Lui et al.
Carcinogenesis, 24(10), 1705-1712 (2003-08-05)
Cruciferous vegetable-derived isothiocyanates (ITCs; chemical structure: R-N=C=S) are highly effective in affording protection against chemically induced cancers in animal models. Here, we studied the antitumor effects of benzyl isothiocyanate (BITC; Ph-CH2-N=C=S), the predominant ITC compound in broccoli, on head and
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