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Merck
CN

548103

2,4,6-Trifluorobenzonitrile

97%

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About This Item

Linear Formula:
F3C6H2CN
CAS Number:
96606-37-0
Molecular Weight:
157.09
UNSPSC Code:
12352100
PubChem Substance ID:
24879014
MDL number:
MFCD00042399
Assay:
97%

Key Documents

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InChI

1S/C7H2F3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H

SMILES string

Fc1cc(F)c(C#N)c(F)c1

InChI key

HTKFGTCCOJIUIK-UHFFFAOYSA-N

assay

97%

mp

59-63 °C (lit.)

General description

2,4,6-Trifluorobenzonitrile is a fluorinated benzonitrile derivative. The analysis of its crystal structure shows the presence of three crystallographically independent molecules and three different kinds of inter­layer interaction.

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCBJ6885V
BCBJ3908V
BCBG4588V
1431951
19298MJ

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2, 4, 6-Trifluorobenzonitrile.
Britton D.
Acta Crystallographica Section C, Structural Chemistry, 64(11), o583-o585 (2008)

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