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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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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
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
Jie Zhang et al.
Inorganic chemistry, 46(1), 321-327 (2007-01-03)
Four novel tri- or tetranuclear organolanthanide metallomacrocycles [Cp2Ln(mu-Im)(THF)3 (Cp = C5H5, Ln = Yb (1), Er (2)], [Cp2Dy(mu-Im)]4(THF)]3 x 2THF (3), and [Cp'2Yb(mu-eta1:eta2-Tz)]4 x 2THF (Cp' = CH3C5H4) (4) have been synthesized through protolysis of Cp3Ln or Cp'3Yb with imidazole
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