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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.)

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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