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HomeProduct name list1,3,5-Tri-tert-butylbenzene

1,3,5-Tri-tert-butylbenzene

  • CAS NO.:1460-02-2
  • Empirical Formula: C18H30
  • Molecular Weight: 246.43
  • MDL number: MFCD00008831
  • EINECS: 215-952-4
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-03-18 17:23:41
1,3,5-Tri-tert-butylbenzene Structural

What is 1,3,5-Tri-tert-butylbenzene?

Chemical properties

WHITE TO ALMOST WHITE CRYSTALLINE SOLID

The Uses of 1,3,5-Tri-tert-butylbenzene

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.]

Properties of 1,3,5-Tri-tert-butylbenzene

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
CAS DataBase Reference 1460-02-2(CAS DataBase Reference)
NIST Chemistry Reference Benzene, 1,3,5-tri-tert-butyl-(1460-02-2)

Safety information for 1,3,5-Tri-tert-butylbenzene

Computed Descriptors for 1,3,5-Tri-tert-butylbenzene

InChIKey GUFMBISUSZUUCB-UHFFFAOYSA-N
SMILES C1(C(C)(C)C)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1

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