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Sigma-Aldrich

4-Bromo-3-methylbenzonitrile

97%

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About This Item

Linear Formula:
BrC6H3(CH3)CN
CAS Number:
41963-20-6
Molecular Weight:
196.04
MDL number:
MFCD00031538
UNSPSC Code:
12352100
PubChem Substance ID:
24880293
NACRES:
NA.22

assay

97%

mp

53-57 °C (lit.)

SMILES string

Cc1cc(ccc1Br)C#N

InChI

1S/C8H6BrN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3

InChI key

SKXUZFJOLNNWIG-UHFFFAOYSA-N

application

4-Bromo-3-methylbenzonitrile may be used to synthesize 2,4,6-tris(4-bromo-3-methyl-phenylene)-1,3,5-triazine and 4-fluoro-3-methylbenzonitrile.

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_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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"The Evolution of Pd0/PdII-Catalyzed Aromatic Fluorination"
Sather CA and Buchwald.LS
Accounts of Chemical Research, 49(10), 2146-2157 (2016)

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