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465240

Sigma-Aldrich

4-Bromo-2-fluorobenzonitrile

98%

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About This Item

Linear Formula:
BrC6H3(F)CN
CAS Number:
105942-08-3
Molecular Weight:
200.01
MDL number:
MFCD00143264
UNSPSC Code:
12352100
PubChem Substance ID:
24870258
NACRES:
NA.22

assay

98%

form

solid

mp

69-72 °C (lit.)

SMILES string

Fc1cc(Br)ccc1C#N

InChI

1S/C7H3BrFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H

InChI key

HGXWRDPQFZKOLZ-UHFFFAOYSA-N

Application

4-Bromo-2-fluorobenzonitrile may be used in the preparation of heterocycles and liquid crystals.
4-Bromo-2-fluorobenzonitrile may be used in the preparation of:
  • 3-fluoro-4′-formylbiphenyl-4-carbonitrile
  • (S)-6-{5-[2-amino-3-(1H-indol-3-yl)-propoxy]-pyridin-3-yl}-1H-indazol-3-ylamine
  • 4-methoxycarbonyl-2-fluorobenzonitrile, via palladium-mediated methoxy carbonylation

pictograms

Exclamation mark
GHS07

signalword

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

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCBG3507V
BCBR8074V
BCBL1184V
1438991V
1438991

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Journal of Materials Chemistry, 5, 1125-1125 (1995)
Tetrahedron Letters, 37, 2885-2885 (1996)
Salvatore D Lepore et al.
Organic letters, 5(1), 7-10 (2003-01-03)
In both solution and the solid phase, a variety of ketone oxime anions have been treated with 4-substituted-2-fluorobenzonitriles to give the corresponding nucleophilic aromatic substitution aryloxime adducts. Under aqueous acidic conditions, these adducts underwent cyclization to give the corresponding ketones.
Dicationic near-linear biphenyl benzimidazole derivatives as DNA-targeted antiprotozoal agents.
Ismail MA, et al.
Bioorganic & Medicinal Chemistry, 13(24), 6718-6726 (2005)
The Journal of Organic Chemistry, 55, 4822-4822 (1990)
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