263524

Sigma-Aldrich

2,3-Difluorobenzonitrile

98%

Linear Formula:
F2C6H3CN
CAS Number:
Molecular Weight:
139.10
EC Number:
MDL number:
PubChem Substance ID:
Pricing and availability is not currently available.

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

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.

Packaging

5 g in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

WGK Germany

WGK 3

Flash Point(F)

167.0 °F - closed cup

Flash Point(C)

75 °C - closed cup

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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