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233587

Sigma-Aldrich

1-tert-Butyl-3,5-dimethylbenzene

98%

Synonym(s):

5-tert-Butyl-m-xylene, sym.-tert-Butyl-m-xylene

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About This Item

Linear Formula:
(CH3)3CC6H3(CH3)2
CAS Number:
98-19-1
Molecular Weight:
162.27
Beilstein/REAXYS Number:
1853314
EC Number:
202-647-6
MDL number:
MFCD00008832
UNSPSC Code:
12352100
PubChem Substance ID:
24853985
NACRES:
NA.22

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

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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.

wgk_germany

WGK 3

flash_point_f

154.4 °F

flash_point_c

68 °C

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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