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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
Assay:
97%
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Quality Segment

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

SMILES string

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

InChI

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

InChI key

QXLDBWRLZDBVGF-UHFFFAOYSA-N

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.

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

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

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 (personal protective equipment)

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

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