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532754

2-Bromo-5-fluorobenzonitrile

95%

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About This Item

Linear Formula:
BrC6H3(F)CN
CAS Number:
57381-39-2
Molecular Weight:
200.01
NACRES:
NA.22
PubChem Substance ID:
24877911
UNSPSC Code:
12352100
EC Number:
260-711-9
MDL number:
MFCD00142875
Assay:
95%
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assay

95%

mp

92-95 °C (lit.)

functional group

bromo, fluoro, nitrile

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.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBZ0309V
MKBX3083V
MKBS3080V
MKBK1423V
MKBH5045V

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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)

Global Trade Item Number

SKUGTIN
532754-25G04061832100647