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Sigma-Aldrich

2,3,4,5,6-Pentafluorobenzonitrile

99%

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About This Item

Linear Formula:
C6F5CN
CAS Number:
773-82-0
Molecular Weight:
193.07
Beilstein/REAXYS Number:
1913453
EC Number:
212-259-9
MDL number:
MFCD00001775
UNSPSC Code:
12352100
PubChem Substance ID:
24851788
NACRES:
NA.22

Quality Level

100

assay

99%

form

liquid

refractive index

n20/D 1.442 (lit.)

bp

162-164 °C (lit.)

density

1.532 g/mL at 25 °C (lit.)

SMILES string

Fc1c(F)c(F)c(C#N)c(F)c1F

InChI

1S/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10

InChI key

YXWJGZQOGXGSSC-UHFFFAOYSA-N

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Related Categories

Application

2,3,4,5,6-Pentafluorobenzonitrile was used in the synthesis of novel fluorinated poly(ether nitrile)s. It was also used in the synthesis of pentafluorophenyl analogs of noradrenaline, adrenaline and N-methyladrenaline.

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

wgk_germany

WGK 3

flash_point_f

84.2 °F

flash_point_c

29 °C

ppe

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Highly fluorinated analogues of pharmacologically active compounds.
Chapman NB, et al.
J. Chem. Soc. Sect. C, 293-296 (1967)
Synthesis of novel fluorine-containing poly (aryl ether nitrile) s derived from 2, 3, 4, 5, 6-pentafluorobenzonitrile.
Kimura K, et al.
Polymer Journal, 33(3), 290-296 (2001)
Justin D Smith et al.
Nature communications, 10(1), 1837-1837 (2019-04-25)
Photocatalytic polymers offer an alternative to prevailing organometallics and nanomaterials, and they may benefit from polymer-mediated catalytic and material enhancements. MPC-1, a polymer photoredox catalyst reported herein, exhibits enhanced catalytic activity arising from charge transfer states (CTSs) between its two

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