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Sigma-Aldrich

2,4-Difluorobenzonitrile

97%

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About This Item

Linear Formula:
F2C6H3CN
CAS Number:
3939-09-1
Molecular Weight:
139.10
EC Number:
223-523-8
MDL number:
MFCD00009826
UNSPSC Code:
12352100
PubChem Substance ID:
24856006
NACRES:
NA.22

Assay

97%

form

solid

mp

47-49 °C (lit.)

functional group

fluoro

SMILES string

Fc1ccc(C#N)c(F)c1

InChI

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

InChI key

LJFDXXUKKMEQKE-UHFFFAOYSA-N

General description

2,4-Difluorobenzonitrile undergoes polycondensation with Bisphenol A and matrix-assisted laser desorption/time-of-flight mass spectra revealed a quantitative formation of cyclic oligoethers and polyethers.

Application

2,4-Difluorobenzonitrile has been used in the synthesis of:
  • 2-methylsulfonyl-4-fluorobenzylamine
  • fluoro-3-amino-1,2-benzisoxazoles

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

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCL0349
MKBC7268
06710PE
02516ME
06920TV

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Macrocycles. XXVIII. Cyclic poly (benzonitrile ether) s derived from bisphenol A.
Kricheldorf HR, et al.
Journal of Polymer Science Part A: Polymer Chemistry, 41(23), 3838-3846 (2003)
Practical Synthesis of 4-Fluoro-2-(methylthio) benzylamine and the Corresponding Sulfone and Sulfonamide.
Perlow DS, et al.
Synthetic Communications, 37(11), 1887-1897 (2007)
S D Lepore et al.
The Journal of organic chemistry, 65(10), 2924-2932 (2000-05-18)
Further exploration of the scope of our solid-phase method for the synthesis of 3-aminobenzisoxazoles (using the Kaiser oxime resin 1) is described. The effects of base, leaving group, and solvent on the nucleophilic aromatic substitution based resin-loading reaction are discussed.

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