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264334

Sigma-Aldrich

3,4-Difluorobenzonitrile

98%

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About This Item

Linear Formula:
F2C6H3CN
CAS Number:
64248-62-0
Molecular Weight:
139.10
EC Number:
264-751-8
MDL number:
MFCD00011666
UNSPSC Code:
12352100
PubChem Substance ID:
24856007
NACRES:
NA.22

Assay

98%

form

solid

mp

52-54 °C (lit.)

functional group

fluoro

SMILES string

Fc1ccc(cc1F)C#N

InChI

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

InChI key

BTBFCBQZFMQBNT-UHFFFAOYSA-N

Application

3,4-Difluorobenzonitrile has been used in the preparation of:
  • fluorophenoxy herbicides
  • fluorine substituted benzyl amides

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)

156.2 °F - closed cup

Flash Point(C)

69 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Rajendra P Tangallapally et al.
Journal of medicinal chemistry, 48(26), 8261-8269 (2005-12-22)
In an ongoing effort to develop new and potent antituberculosis agents, a second-generation series of nitrofuranyl amides was synthesized on the basis of the lead compound 5-nitrofuran-2-carboxylic acid 3,4-dimethoxybenzylamide. The primary design consideration was to improve the solubility and consequently
Synthesis of 3, 4-difluorobenzonitrile and monofluorobenzonitriles by means of halogen-exchange fluorination.
Suzuki H and Kimura Y.
Journal of Fluorine Chemistry, 52(3), 341-351 (1991)

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