2-Chlorotoluene

2-Chlorotoluene: A Practical Aromatic Intermediate for Chemical Synthesis

  • Sep 04

2-Chlorotoluene is a useful chlorinated aromatic compound for chemical synthesis, particularly when a methyl group and a chlorine substituent are required in an adjacent position on the benzene ring. Also known as o-Chlorotoluene or 1-chloro-2-methylbenzene, it provides a defined starting structure for the preparation of other substituted aromatic compounds.

For buyers, the value of 2-Chlorotoluene is not simply its chlorine content. Its ortho-substitution pattern can make it a more suitable starting material for synthesis routes that require the methyl group and the reactive aromatic chlorine atom to remain in a specific relationship.

2-Chlorotoluene and Its Defined Ortho Structure

The molecular structure of 2-Chlorotoluene can be represented as

CH₃C₆H₄Cl, with the methyl group and chlorine atom located next to each other on the benzene ring.

This arrangement is important when the substitution pattern of the final aromatic product matters. Purchasing 2-Chlorotoluene means that this relationship is already established in the starting material, rather than having to introduce both substituents separately during an earlier stage of synthesis.

The chlorine atom is bonded directly to the aromatic ring, while the methyl group remains as part of the aromatic framework. This combination gives 2-Chlorotoluene a useful balance between an existing structural substituent and a site that can participate in further chemical transformation.

A Useful Combination of Methyl and Chlorine Groups

The practical value of 2-Chlorotoluene becomes clearer when considering what happens after the starting material enters a synthesis route.

The aryl C-Cl bond can serve as a functionalization site under suitable reaction conditions. For example, 2-Chlorotoluene can be used as an aryl chloride substrate in palladium-catalyzed Negishi cross-coupling, providing a route toward new carbon-carbon bonds.

Aryl chlorides can also participate in Buchwald-Hartwig amination, allowing the preparation of arylamine structures under appropriate catalytic conditions.

These transformations make 2-Chlorotoluene useful when a synthesis requires a pre-existing methyl group together with an aromatic position that can undergo further functionalization.

The neighboring methyl group also creates a different local steric environment from that of chlorotoluene isomers in which the methyl group is further away. Its influence on a particular reaction depends on the catalyst, reagents, and substrate, so route-specific optimization is still required.

Synthetic Routes Built Around 2-Chlorotoluene

2-Chlorotoluene can therefore serve as a starting point for building more complex substituted aromatic molecules.

A carbon-carbon coupling route can replace the chlorine-bearing position with another carbon-based group while retaining the methyl substituent. Alternatively, C-N coupling chemistry can be considered when an aromatic amine structure is required.

The advantage is straightforward: the starting material already contains part of the desired aromatic skeleton.

For chemical manufacturers, research laboratories, and intermediate producers, this can be useful when developing a route in which the ortho-methyl arrangement needs to be retained through subsequent transformations.

2-Chlorotoluene Compared with Other Chlorotoluene Isomers

2-Chlorotoluene, 3-Chlorotoluene, and 4-Chlorotoluene share the same molecular formula, but their substitution patterns are different.

In 2-Chlorotoluene, the chlorine and methyl groups are in the ortho position.

In 3-Chlorotoluene they are in the meta position, while in 4-Chlorotoluene they are in the para position.

This distinction matters when selecting a starting material for synthesis. A route designed around an ortho-substituted aromatic structure cannot simply substitute another chlorotoluene isomer because the molecular connectivity is different.

For this reason, confirming the correct isomer is an important part of chemical raw material purchasing.

Key Specifications for 2-Chlorotoluene

2-Chlorotoluene has CAS No. 95-49-8, a molecular formula of , and a molecular weight of 126.58 g/mol.

Property

Typical Value

CAS No.

95498

Molecular Formula

C₇H₇Cl

Molecular Weight

126.58 g/mol

Appearance

Liquid

Melting Point

Approx. −35 to −36 °C

Boiling Point

Approx. 158159 °C

Density

Approx. 1.08 g/mL

Water Solubility

Low

The exact specification can vary by supplier and product grade, so buyers should refer to the batch-specific technical specification and COA when placing an order.

Product Quality and Purchasing Considerations

For 2-Chlorotoluene used in chemical synthesis, the product’s identity and impurity profile deserve particular attention.

Before purchasing, buyers should confirm:

CAS No.: 95-49-8

GC purity or assay

Chlorotoluene isomer impurities

Appearance and relevant specification limits

Batch-specific COA

SDS for handling, storage, and transportation requirements

This is especially important when the material is being used as a starting material for a structure-sensitive synthesis. Even when the main component is 2-Chlorotoluene, the level of related isomers may still be relevant to downstream processing.

2-Chlorotoluene is a flammable liquid and should be handled, stored, and transported according to the applicable safety requirements and supplier SDS.

2-Chlorotoluene Supply from Snowhite Chemical

For customers looking for 2-Chlorotoluene CAS 95-49-8 as an aromatic starting material, Snowhite Chemical Co., LTD. provides product supply for chemical synthesis and related applications.

If you are sourcing 2-Chlorotoluene, contact Snowhite Chemical Co., LTD. for current product specifications, packaging options, and purchasing information.

 

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