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Key Documents

196711

Sigma-Aldrich

2,3,4,5,6-Pentafluorobenzonitrile

99%

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About This Item

Linear Formula:
C6F5CN
CAS Number:
Molecular Weight:
193.07
Beilstein:
1913453
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

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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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

Signal Word

Warning

Hazard Statements

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

84.2 °F - closed cup

Flash Point(C)

29 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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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