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1,3,5-Tri-tert-butylbenzene

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1,3,5-Tri-tert-butylbenzene Basic information

Product Name:
1,3,5-Tri-tert-butylbenzene
Synonyms:
  • 1,3,5-TRI-TERT-BUTYLBENZENE 98+%
  • 1,3,5-TRI-T-BUTYLBENZENE 95%
  • 1,3,5-Tris-tert-butylbenzene
  • 2,4,6-Tri-tert-butylbenzene
  • 1,3,5-Tri-tert-butylbenzene, 97+%
  • 1,3,5-Tri-tert-butylbenzene,95%
  • 1,3,5-Tri-tert-butylbenzene, 95% 2.5GR
  • 1,3,5-Tris-(1,1-dimethylethyl)benzene
CAS:
1460-02-2
MF:
C18H30
MW:
246.43
EINECS:
215-952-4
Product Categories:
  • Building Blocks
  • Chemical Synthesis
  • Arenes
  • Building Blocks
  • Organic Building Blocks
  • Organic Building Blocks
Mol File:
1460-02-2.mol
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1,3,5-Tri-tert-butylbenzene Chemical Properties

Melting point:
67-72 °C (lit.)
Boiling point:
121-122 °C/12 mmHg (lit.)
Density 
0.8496 (estimate)
refractive index 
1.4948 (estimate)
Flash point:
121-122°C/12mm
storage temp. 
Sealed in dry,Room Temperature
solubility 
Chloroform (Sparingly), Ethyl Acetate (Slightly)
form 
Solid
color 
White to Off-White
Water Solubility 
Insoluble in water.
BRN 
1909579
InChI
InChI=1S/C18H30/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H3
InChIKey
GUFMBISUSZUUCB-UHFFFAOYSA-N
SMILES
C1(C(C)(C)C)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1
CAS DataBase Reference
1460-02-2(CAS DataBase Reference)
NIST Chemistry Reference
Benzene, 1,3,5-tri-tert-butyl-(1460-02-2)
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Safety Information

Safety Statements 
22-24/25
WGK Germany 
3
HS Code 
29029090

MSDS

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1,3,5-Tri-tert-butylbenzene Usage And Synthesis

Chemical Properties

WHITE TO ALMOST WHITE CRYSTALLINE SOLID

Uses

1,3,5-Tri-tert-butylbenzene is used in the preparation of sandwich complexes of scandium, yttrium and lanthanide ions.

Synthesis Reference(s)

Canadian Journal of Chemistry, 33, p. 672, 1955 DOI: 10.1139/v55-079

General Description

The Sandros-Boltzmann (SB) dependency on the reaction free energy of 1,3,5-tri-tert-butylbenzene has been studied.

Purification Methods

Crystallise it from EtOH. [Beilstein 5 IV 1206.]

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