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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.)

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

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

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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)

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