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248037

Sigma-Aldrich

2,5-Difluorobenzonitrile

99%

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About This Item

Linear Formula:
F2C6H3CN
CAS Number:
64248-64-2
Molecular Weight:
139.10
EC Number:
264-753-9
MDL number:
MFCD00001777
UNSPSC Code:
12352100
PubChem Substance ID:
24854911
NACRES:
NA.22

Assay

99%

form

solid

mp

33-35 °C (lit.)

SMILES string

Fc1ccc(F)c(c1)C#N

InChI

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

InChI key

OJTMHIMQUQOLJV-UHFFFAOYSA-N

General description

Electronic transitions in 2,5-difluorobenzonitrile has been investigated by photoacoustic spectroscopy.

Application

2,5-Difluorobenzonitrile has been used in the preparation of dithiadiazolyl radicals.

Pictograms

Exclamation mark
GHS07

Signal Word

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 Code

4.1B - Flammable solid hazardous materials

WGK

WGK 3

Flash Point(F)

172.4 °F - closed cup

Flash Point(C)

78 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Modification of molecular packing: crystal structures and magnetic properties of monomeric and dimeric difluorophenyl-1, 2, 3, 5-dithiadiazolyl radicals.
Banister AJ, et al.
J. Chem. Soc., Dalton Trans., 15, 2539-2542 (1997)
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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