233587

1-tert-Butyl-3,5-dimethylbenzene

98%

• Synonym(s): 5-tert-Butyl-m-xylene, sym.-tert-Butyl-m-xylene
• Linear Formula: (CH₃)₃CC₆H₃(CH₃)₂
• CAS Number: 98-19-1
• Molecular Weight: 162.27
• Beilstein: 1853314
• EC Number: 202-647-6
• MDL number: MFCD00008832
• UNSPSC Code: 12352100
• PubChem Substance ID: 24853985
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 98%
• form: liquid
• refractive index: n20/D 1.495 (lit.)
• bp: 205-206 °C (lit.)
• density: 0.867 g/mL at 25 °C (lit.)
• SMILES string: Cc1cc(C)cc(c1)C(C)(C)C
• InChI: 1S/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3
• InChI key: FZSPYHREEHYLCB-UHFFFAOYSA-N

Description

General description

1-tert-Butyl-3,5-dimethylbenzene participates in the cascade diarylation of N-phenylacetamides with non-prefunctionalized arenes.

Application

1-tert-Butyl-3,5-dimethylbenzene has been used in the synthesis of bulky, multi-alkylated diaryl disulfides such as bis(4-tert-butyl-2,6-dimethylphenyl) disulfide and bis(2,4,6-triisopropylphenyl) disulfide.

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 154.4 °F - closed cup
• Flash Point(C): 68 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves