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About This Item
Linear Formula:
BrC6H3(F)CN
CAS Number:
Molecular Weight:
200.01
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
95%
mp
92-95 °C (lit.)
SMILES string
Fc1ccc(Br)c(c1)C#N
InChI
1S/C7H3BrFN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H
InChI key
MDHNVHCZDCSTMS-UHFFFAOYSA-N
General description
2-Bromo-5-fluorobenzonitrile can be prepared from 3-fluorobenzonitrile vial bromination using 1,3-dibromo-5,5-dimethylhydantoin (DBDMH).. It undergoes palladium-catalyzed Suzuki coupling with boronic acid derivative to form corresponding biaryl.
Application
2-Bromo-5-fluorobenzonitrile may be used in the preparation of 5-chloro-4,2?-difluorobiphenyl-2-carbonitrile.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
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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Find documentation for the products that you have recently purchased in the Document Library.
Large-scale applications of transition metal-catalyzed couplings for the synthesis of pharmaceuticals.
Magano J and Dunetz JR.
Chemical Reviews, 111(3), 2177-2250 (2011)
Facile synthesis of 2-bromo-3-fluorobenzonitrile: An application and study of the halodeboronation of aryl boronic acids.
Szumigala RH, et al.
The Journal of Organic Chemistry, 69(2), 566-569 (2004)
The Expedient Synthesis of 4, 2'-Difluoro-5'-(7-trifluoromethyl-imidazo [1,2-a] pyrimidin-3-yl) biphenyl-2-carbonitrile, a GABA ?2/3 Agonist.
Cameron M, et al.
Organic Process Research & Development, 10(3), 398-402 (2006)
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