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Safety Information

196711

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:
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.)

functional group

fluoro
nitrile

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
GHS02

Signal Word

Warning

Hazard Statements

H226

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

196711-BULK:
196711-50G:4548173113074
196711-VAR:
196711-10G:4548173113067

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV0407
MKCR7510
MKCQ9723
MKCP6906
MKCJ8401

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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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