Introduction：Basic information about 1,3,5-Tri-tert-butylbenzene CAS 1460-02-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
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;Organic Building Blocks;Arenes;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) |
| Fp | 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) |
Safety Information
| Safety Statements | 22-24/25 |
| WGK Germany | 3 |
| HS Code | 29029090 |
| Storage Class | 11 - Combustible Solids |
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.] |
1,3,5-Tri-tert-butylbenzene Preparation Products And Raw materials
| Preparation Products | 1-BROMO-2,4,6-TRI-TERT-BUTYLBENZENE-->Benzene, 1,3-bis(1,1-dimethylethyl)-5-iodo--->3,5-Di-tert-butylcatechol |
