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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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N Tamura et al.
Mutation research, 283(2), 97-106 (1992-10-01)
The reactivities of methyl isocyanate (MIC) and phenyl isocyanate (PIC) with DNA, and the genotoxicity of MIC were investigated. MIC and PIC reacted with the exocyclic amino group of deoxycytidine, deoxyadenosine and deoxyguanosine to produce carbamoylated products. The reactions of
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
Sherri B Turnipseed et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 877(14-15), 1487-1493 (2009-04-07)
A derivatization procedure using phenyl isocyanate was adapted to liquid chromatography ion trap mass spectrometry (LC-MS(n)) for confirmation and quantification of aminoglycoside residues in milk. Aminoglycoside residues were extracted from milk with acid and isolated from the matrix with a
M A Morse et al.
Cancer research, 49(11), 2894-2897 (1989-06-01)
Phenethyl isothiocyanate (PEITC), benzyl isothiocyanate (BITC), and phenyl isothiocyanate (PITC) were tested for their abilities to inhibit lung tumorigenesis and O6-methylguanine formation in lung DNA induced by the tobacco-specific nitrosamine 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) in A/J mice. Pretreatment with PEITC for 4
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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