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Merck
CN

512079

Pentafluorophenyl isocyanate

97%

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About This Item

Linear Formula:
C6F5NCO
CAS Number:
1591-95-3
Molecular Weight:
209.07
NACRES:
NA.22
PubChem Substance ID:
24873607
UNSPSC Code:
12352100
EC Number:
216-470-7
MDL number:
MFCD01863699

Key Documents

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Product Name

Pentafluorophenyl isocyanate, 97%

InChI key

QXLDBWRLZDBVGF-UHFFFAOYSA-N

InChI

1S/C7F5NO/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10

SMILES string

Fc1c(F)c(F)c(N=C=O)c(F)c1F

assay

97%

refractive index

n20/D 1.449 (lit.)

bp

52 °C/2 mmHg (lit.)

density

1.6 g/mL at 25 °C (lit.)

functional group

fluoro
isocyanate

storage temp.

2-8°C

Quality Level

100

Related Categories

Application

Pentafluorophenyl isocyanate may be used in the preparation of:
  • pentafluorophenyl end-capped poly(ethylene glycol) (PF-PEG-PF)
  • 9-O-(pentafluorophenylcarbamoyl)quinine
  • 9-O-(tert-butyldimethylsilyl)-10-(pentafluorophenylcarbamoyloxy)-6′-methoxy-11-norcinchonan-9-ol
  • substituted 2,6-ethynylpyridine bisphenylurea scaffolds
  • novel O-xylyl bridged hexaurea receptor for atmospheric CO2 uptake

General description

Pentafluorophenyl isocyanate (PFPI), an aryl isocyanate, is an N-protecting reagent. The photoinduced intermolecular carbamoylation of tertiary ethereal C-H bond of fused bicyclic system using PFPI/benzophenone has been reported. Reacting wood polymers with PFPI can make them resistant to fungal attack by forming a stable carbamate bond.

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ4625
MKCZ2081
MKCW9998
MKCQ3653
MKCK6173

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CO2-and O2-Sensitive Fluorophenyl End-Capped Poly (ethylene glycol).
Choi JY, et al.
Macromolecular Rapid Communications, 35(1), 66-70 (2014)
NMR enantiodiscrimination by pentafluorophenylcarbamoyl derivatives of quinine: C10 versus C9 derivatization.
Uccello-Barretta G, et al.
Chirality, 23(5), 417-417 (2011)
Jeffrey M Engle et al.
Chemical science, 3(4), 1105-1110 (2012-04-01)
A series of sixteen bisphenylureas based on a 2,6-bis(2-anilinoethynyl)pyridine scaffold have been synthesized for use as potential anion sensors. Prior work with one of these receptors revealed a distinct fluorescence response in the presence of a suitable anion source with
Elena Badaloni et al.
Journal of chromatography. A, 1217(7), 1024-1032 (2009-10-30)
The aim of the present study was to extend the use of the "Inverted Chirality Columns Approach (ICCA)" previously developed for the identification and quantitation of the trace enantiomer in highly enriched samples of the camptothecin (CPT) family of drugs
Fungal resistance of southern pine impregnated with methyl fluorophenyl carbamates or reacted with fluorophenyl isocyanates.
Chen GC, et al.
Wood and Fiber Science, 22(2), 165-172 (2007)
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