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566365

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

Quality Level

100

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

Related Categories

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

Signal Word

Warning

Hazard Statements

H302 + H312 + H332

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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"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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