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566365

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
NACRES:
NA.22
PubChem Substance ID:
24880293
UNSPSC Code:
12352100
MDL number:
MFCD00031538
Assay:
97%
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Quality Level

100

assay

97%

mp

53-57 °C (lit.)

functional group

bromo, nitrile

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

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBX9038V
MKBL2313V
MKBF2152V
MKBF0838V
MKAA1359

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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)

Global Trade Item Number

SKUGTIN
566365-25G04061832101057
566365-5G04061832101064