CAS 39199-37-6

1-(2-Chloroethyl)-2-methylbenzene

Description:

1-(2-Chloroethyl)-2-methylbenzene, also known as o-chloroethyl toluene, is an organic compound characterized by a benzene ring substituted with a methyl group and a chloroethyl group. Its molecular structure features a two-carbon chain (the chloroethyl group) attached to the benzene ring at the ortho position relative to the methyl group. This compound is typically a colorless to pale yellow liquid with a distinct aromatic odor. It is moderately soluble in organic solvents but has limited solubility in water. The presence of the chloroethyl group imparts certain reactivity, making it a potential intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. Safety considerations are important, as it may pose health risks upon exposure, including potential carcinogenic effects. Proper handling and storage in a well-ventilated area, along with the use of personal protective equipment, are recommended to mitigate risks associated with its use.

Formula: C₉H₁₁Cl

InChI: InChI=1S/C9H11Cl/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6-7H2,1H3

InChI key: InChIKey=IPQIQERVBHGGCH-UHFFFAOYSA-N

SMILES: C(CCl)C1=C(C)C=CC=C1

Synonyms:

• Toluene, o-(2-chloroethyl)-
• o-Methylphenethyl chloride
• o-Methyl-β-phenylethyl chloride
• 1-(2-Chloroethyl)-2-methylbenzene
• Benzene, 1-(2-chloroethyl)-2-methyl-

1-(2-Chloroethyl)-2-methylbenzene

CAS: 39199-37-6

Versatile small molecule scaffold

Formula: C₉H₁₁Cl

Purity: Min. 95%

Molecular weight: 154.63 g/mol

Ref: 3D-PBA19937