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
存储类别
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
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
J Pauluhn et al.
Fundamental and applied toxicology : official journal of the Society of Toxicology, 24(2), 217-228 (1995-02-01)
This study was conducted to assess the toxic effects of repeated inhalation exposures to phenyl isocyanate vapor in male Wistar rats. Rats were exposed to design concentrations of 0, 1, 4, 7, or 10 mg/m3 phenyl isocyanate air for 2
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
C B Fanska et al.
Journal of chromatography, 537(1-2), 357-364 (1991-01-11)
A gas chromatographic method was developed to determine the purity of synthesized isocyanate monomers, specifically isocyanatoacrylates, and to determine the isocyanate content of synthesized polymers and prepolymers. The method is a modification of an ASTM procedure in which an isocyanate
Cheng Guo et al.
Organic & biomolecular chemistry, 10(35), 7070-7077 (2012-08-08)
In mass spectrometry of protonated N-phenylcinnamides, the carbonyl oxygen is the thermodynamically most favorable protonation site and the added proton is initially localized on it. Upon collisional activation, the proton transfers from the carbonyl oxygen to the dissociative protonation site
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