1-Iodo-3,5-dimethylbenzene

ALDRICH/392510 - 99%

Synonym: 5-Iodo-m-xylene

CAS Number: 22445-41-6
Empirical Formula (Hill Notation): C₈H₉I
Molecular Weight: 232.06
MDL Number: MFCD00060659
Linear Formula: (CH₃)₂C₆H₃I
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-392510-5ML	5 mL	$0.00 1/EA CALL FOR PRICE		Add To Favorites
45-392510-25ML	25 mL	$133.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	99%
bp	92-94 °C/3 mmHg (lit.)
density	1.608 g/mL at 25 °C (lit.)
form	liquid
InChI	1S/C8H9I/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
InChI key	ZLMKEENUYIUKKC-UHFFFAOYSA-N
refractive index	n20/D 1.594 (lit.)
SMILES string	Cc1cc(C)cc(I)c1

Application:	1-Iodo-3,5-dimethylbenzene (5-iodo-m-xylene) is suitable for use in the synthesis of N-(3,5-xylyl)-N-ethylaniline, an arylamine. It may be used in the following studies: • α-Arylation of ketones. • Copper-catalyzed N-arylation of imidazoles. • Cyanation of 5-iodo-m-xylene to form 3,5-dimethylbenzonitrile. • Synthesis of 1,3-Dimethyl-5-phenoxybenzene by nano-CuFe₂O₄ catalyzed C-O cross-coupling with phenol. • CuBr-catalyzed amination of 1-iodo-3,5-dimethylbenzene to form N-Allyl-3,5-dimethylbenzenamine. • Copper-catalyzed C-S bond-formation between 5-iodo-m-xylene and thiophenol. • As a starting material in the synthesis of biphenyl-3,3’,5,5’-tetracarboxylic acid. • Radical bromination of 5-iodo-m-xylene by N-bromosuccinimide to form 1,3-bis(bromomethyl)-5-iodobenzene.
General description:	1-Iodo-3,5-dimethylbenzene (5-Iodo-m-xylene) is an aryl halide. It can be obtained from 5-bromo-m-xylene, via copper-catalyzed halogen exchange reaction, in the presence of NaI or KI in n-BuOH or DMF (solvents). It undergoes reaction with phenol in the presence of CuFe₂O₄nano powder as a recyclable catalyst to afford 1,3-dimethyl-5-phenoxybenzene.
Packaging:	5, 25 mL in glass bottle

Symbol	GHS07
Signal word	Warning
Hazard statements	H315 - H319 - H335
Precautionary statements	P302 + P352 - P305 + P351 + P338
Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	235.4 °F - closed cup
Flash Point(C)	113 °C - closed cup

Purity	99%
bp	92-94 °C/3 mmHg (lit.)
Density	1.608 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.594 (lit.)
UNSPSC	12352100

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