Name: 1,3-BIS(TRIMETHYLSILYL)BENZENE
SKU: 2060-89-1

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Basic Information

Molecular Structure:
CAS No.:	2060-89-1
Name:	1,3-BIS(TRIMETHYLSILYL)BENZENE
Article Data:	10

Formula:	C₁₂H₂₂Si₂
Molecular Weight:	222.478
Synonyms:	Silane,1,3-phenylenebis[trimethyl- (9CI);Silane, m-phenylenebis[trimethyl- (7CI,8CI);1,3-Bis(trimethylsilyl)benzene;m-Bis(trimethylsilyl)benzene;
Density:	0.85 g/cm³
Boiling Point:	224.3 °C at 760 mmHg
Flash Point:	72 °C
PSA:	0.00000
LogP:	2.77700

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Specification

The Benzene,1,3-bis(trimethylsilyl)-, with the CAS registry number 2060-89-1, is also known as 1,3-Bis(trimethylsilyl)benzene. This chemical's molecular formula is C₁₂H₂₂Si₂ and molecular weight is 222.47. What's more, its systematic name is called Benzene-1,3-diylbis(trimethylsilane). It should be kept in a cold and dry place.

Physical properties about Benzene,1,3-bis(trimethylsilyl)- are: (1) ACD/LogP: 7.22; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 7.22; (4) ACD/LogD (pH 7.4): 7.22; (5) ACD/BCF (pH 5.5): 181344.3; (6) ACD/BCF (pH 7.4): 181344.3; (7) ACD/KOC (pH 5.5): 202121.97; (8) ACD/KOC (pH 7.4): 202121.97; (9) #H bond acceptors: 0; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: Å²; (13) Index of Refraction: 1.467; (14) Molar Refractivity: 72.03 cm³; (15) Molar Volume: 259.5 cm³; (16) Surface Tension: 22 dyne/cm; (17) Density: 0.85 g/cm³; (18)Flash Point: 72 °C; (19) Enthalpy of Vaporization: 44.2 kJ/mol; (20) Boiling Point: 224.3 °C at 760 mmHg; (21) Vapour Pressure: 0.137 mmHg at 25 °C.

Preparation of Benzene,1,3-bis(trimethylsilyl)-: this chemical can be prepared by 3,6-Bis-(trimethylsilyl)-cyclohexadien-(1,4).

This reaction needs reagent Di-tert-butyl peroxide at temperature of 130 °C. The reaction time is 6.5 hours. The yield is 5 %.

Uses of Benzene,1,3-bis(trimethylsilyl)-: it is used to produce other chemicals. For example, it is used to produce 1-(3-Trimethylsilanyl-phenyl)-ethanone.

The reaction occurs with reagent AlCl₃ and solvent CS₂. The reaction time is 5.5 hours. The yield is 44 %.

You can still convert the following datas into molecular structure:
(1) SMILES: C[Si](C)(C)c1cccc(c1)[Si](C)(C)C
(2) InChI: InChI=1/C12H22Si2/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-10H,1-6H3
(3) InChIKey: RDDMOMIMRPHKSZ-UHFFFAOYAS