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465259

Sigma-Aldrich

5-Bromo-2-fluorobenzonitrile

97%

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About This Item

Linear Formula:
BrC6H3(F)CN
CAS Number:
179897-89-3
Molecular Weight:
200.01
MDL number:
MFCD00143424
UNSPSC Code:
12352100
PubChem Substance ID:
24870260
NACRES:
NA.22

Quality Level

200

Assay

97%

mp

76-80 °C (lit.)

functional group

bromo
fluoro
nitrile

SMILES string

Fc1ccc(Br)cc1C#N

InChI

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

InChI key

GYCNHFWRPJXTSB-UHFFFAOYSA-N

Related Categories

Application

5-Bromo-2-fluorobenzonitrile may be used for the preparation of the following compounds:
  • (E)-5-(2-cyclopropylvinyl)-2-fluorobenzonitrile and methyl-3-amino-5-bromobenzo[b]thiophene-2-carboxylate
  • (S)-[2-[5-(3-cyano-4-fluoro-phenyl)-pyridin-3-yloxy]-1-(1H-indol-3-ylmethyl)-ethyl]-carbamic acid tert-butyl ester
  • 4-fluoro-3-cyano-3′-tributyltinbenzhydrol
  • 4-fluoro-3-cyano-3′-iodobenzhydrol

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)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCF7585
BCBN5852V
BCBF4562V
BCBF7145V
BCBC3995V

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Microwave-assisted synthesis of 3-aminobenzo [b] thiophene scaffolds for the preparation of kinase inhibitors.
Bagley MC, et al.
Organic & Biomolecular Chemistry (2015)
Zizhong Li et al.
Bioconjugate chemistry, 14(2), 287-294 (2003-03-20)
The synthesis of a benzophenone-based labeling compound designed for comparative imaging studies with both in vivo positron emission tomograph (PET) and single-photon computed tomography (SPECT) and ex vivo autoradiography is described. The new compound can be labeled with either F-18
Keith W Woods et al.
Bioorganic & medicinal chemistry, 14(20), 6832-6846 (2006-07-18)
A series of heteroaryl-pyridine containing inhibitors of Akt are reported. The synthesis and structure-activity relationships are discussed, leading to the discovery of a indazole-pyridine analogue (K(i)=0.16 nM). These compounds bind in the ATP binding site, are potent, ATP competitive, and

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