5-Iodo-m-xylene, 97%

Description

CAS: 22445-41-6 | C8H9I | 232.06 g/mol

1-Iodo-3,5-dimethylbenzene (5-iodo-m-xylene) is suitable for use in the synthesis of N-(3,5-xylyl)-N-ethyl aniline, an aryl amine, It is also 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. It is also employed 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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
1-Iodo-3,5-dimethylbenzene (5-iodo-m-xylene) is suitable for use in the synthesis of N-(3,5-xylyl)-N-ethyl aniline, an aryl amine, It is also 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. It is also employed 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.

Solubility
Sparingly soluble (0.014 g/L) (25°C), Calc.

Notes
Light Sensitive. Store away from oxidizing agents and light. Keep the container tightly closed and place it in a cool, dry and well ventilated condition.

Specifications

Chemical Identifiers

• CAS: 22445-41-6
• Molecular Formula: C8H9I
• Molecular Weight (g/mol): 232.06
• MDL Number: MFCD00060659
• InChI Key: ZLMKEENUYIUKKC-UHFFFAOYSA-N
• Synonym: 5-iodo-m-xylene, 1,3-dimethyl-5-iodobenzene, benzene, 1-iodo-3,5-dimethyl, 3,5-dimethyliodobenzene, pubchem3872, acmc-1ccdf, 3,5-dimethyl-1-iodobenzene, ksc422q9l, 1-iodo-3,5-dimethylbenzene, #
• PubChem CID: 140924
• IUPAC Name: 1-iodo-3,5-dimethylbenzene
• SMILES: CC1=CC(I)=CC(C)=C1

• Density: 1.61
• Boiling Point: 229°C
• Quantity: 50 g
• Refractive Index: 1.595
• Beilstein: 2039353
• Solubility Information: Sparingly soluble (0.014g/L) (25°C),Calc.
• Formula Weight: 232.07
• Percent Purity: 98%
• Chemical Name or Material: 5-Iodo-m-xylene

Safety and Handling

Hazard Category	H315-H319-H335
Hazard Statement	GHS H Statement H315-H319-H335 Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c
EINECSNumber	000-000-0
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only