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263524

Sigma-Aldrich

2,3-Difluorobenzonitrile

98%

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Linear Formula:
F2C6H3CN
CAS Number:
Molecular Weight:
139.10
EC Number:
MDL number:
PubChem Substance ID:

Quality Level

assay

98%

refractive index

n20/D 1.4882 (lit.)

density

1.254 g/mL at 25 °C (lit.)

SMILES string

Fc1cccc(C#N)c1F

InChI

1S/C7H3F2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H

InChI key

GKPHNZYMLJPYJJ-UHFFFAOYSA-N

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290203264334186783
2,3-Difluorobenzonitrile 98%

263524

2,3-Difluorobenzonitrile

3,5-Difluorobenzonitrile 99%

290203

3,5-Difluorobenzonitrile

3,4-Difluorobenzonitrile 98%

264334

3,4-Difluorobenzonitrile

2,6-Difluorobenzonitrile 97%

186783

2,6-Difluorobenzonitrile

refractive index

n20/D 1.4882 (lit.)

refractive index

-

refractive index

-

refractive index

n20/D 1.4875 (lit.)

density

1.254 g/mL at 25 °C (lit.)

density

-

density

-

density

1.246 g/mL at 25 °C (lit.)

General description

Electronic transitions of 2,3-difluorobenzonitrile has been studied by photoacoustic spectroscopy.

Application

2,3-Difluorobenzonitrile has been used in the preparation of difluorophenyl-1,2,3,5-dithiadiazolyl and cyanophenoxazines.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

167.0 °F - closed cup

flash_point_c

75 °C - closed cup

ppe

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


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M Alcolea Palafox et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 57(12), 2373-2389 (2002-01-05)
Geometry, vibrational frequencies, atomic charges and several thermodynamic parameters (the total energy, the zero point energy, the rotational constants and the room temperature entropy) were calculated using ab initio quantum chemical methods for 2,3-difluorobenzonitrile molecule. The results were compared with
Cyano-activated fluoro displacement reactions in the synthesis of cyanophenoxazines and related compounds.
Eastmond GC, et al.
New. J. Chem., 25(3), 385-390 (2001)
The effect of fluorinated aryl substituents on the crystal structures of 1, 2, 3, 5-dithiadiazolyl radicals.
Clarke CS, et al.
CrystEngComm, 12(1), 172-185 (2010)
Two electronic transitions in the near-UV region of six isomeric difluorobenzonitriles-I.
Ramu K, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 49(2), 223-236 (1993)

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