4-Bromotoluene

ALDRICH/B82200 - 98%

Synonym: 1-Methyl-4-bromobenzene; 4-Bromo-1-methylbenzene; 4-Methyl-1-bromobenzene; 4-Methylbromobenzene; 4-Tolyl bromide; p-Bromo(methyl)benzene; p-Methylbromobenzene; p-Tolyl bromide

CAS Number: 106-38-7
Empirical Formula (Hill Notation): C₇H₇Br
Molecular Weight: 171.03
EC Number: 203-391-8
MDL Number: MFCD00000109
Linear Formula: CH₃C₆H₄Br
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-B82200-5G	5 g	$37.50 1/EAAdd To Favorites	Add To Favorites
45-B82200-100G	100 g	$59.00 1/EAAdd To Favorites	Add To Favorites
45-B82200-500G	500 g	$158.00 1/EAAdd To Favorites	Add To Favorites

assay	98%
bp	184 °C (lit.)
density	1.39 g/mL at 25 °C (lit.)
form	solid
InChI	1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChI key	ZBTMRBYMKUEVEU-UHFFFAOYSA-N
mp	26-29 °C (lit.)
Quality Level	200
SMILES string	Cc1ccc(Br)cc1

Application:	4-Bromotoluene was used in the synthesis of ketones by Cu/Pd-catalyzed decarboxylative cross-coupling reaction.
General description:	4-Bromotoluene is a p-substituted aryl bromide. 4-Bromotoluene undergoes C-O coupling reaction with 2,4-dimethylphenol catalyzed by the CuI/K₂CO₃/phen system. Complexes [Cu(phen)(1-(2,4-dimethylphenoxy)-4-methylbenzene)]⁺, {H[Cu(phen)(2,4-dimethylphenoxy)]}⁺ and [Cu(2,4-dimethylphenoxy)₂]^- were reported as intermediates during the reaction by in situ electrospray ionization mass spectrometry (ESI-MS) analysis. Suzuki coupling reaction of 4-bromotoluene and non-fluorescent phenylboronic acid (PBA) in the presence of palladium (II) acetate as a catalyst has been studied. Palladium catalyzed C-N cross-coupling reaction of 4-bromotoluene with piperidine in a microstructured continuous reactor has been described. 4-Bromotoluene has been reported to undergo Heck reaction with styrene in the presence of in situ generated palladium complexes of phosphine-functionalized N-heterocyclic carbene ligands.
Packaging:	5, 100, 500 g in glass bottle

Symbol	GHS07,GHS09
Signal word	Warning
Hazard statements	H332 - H411
Precautionary statements	P261 - P271 - P273 - P304 + P340 + P312 - P391 - P501
Hazard Codes	Xn,N
Risk Statements	22-38-51/53
Safety Statements	28-61
RIDADR	UN 3077 9 / PGIII
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	98%
bp	184 °C (lit.)
mp	26-29 °C (lit.)
Density	1.39 g/mL at 25 °C (lit.)
UNSPSC	12352100