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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

Quality Level

200

Assay

98%

form

solid

mp

52-54 °C (lit.)

functional group

fluoro
nitrile

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

JAN Code

264334-VAR:
264334-25G:4548173126661
264334-5G:4548173126678
264334-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
STBK8232
STBK0502
STBJ8605
STBJ5487
STBH6366

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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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